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CZL55

CAT: 0127-BUP05713-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05713-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
667408-87-9
Purity
=98%
Smiles
N(C(=O)C1=CC(NC(CCCC(O)=O)=O)=CC=C1)C2=C(OC)C=C(OC)C=C2

Chemical Information

5-((3-((2,4-Dimethoxyphenyl)carbamoyl)phenyl)amino)-5-oxopentanoic acid
CAS Number667408-87-9
PubChem CID1217703
IUPAC Name5-[3-[(2,4-dimethoxyphenyl)carbamoyl]anilino]-5-oxopentanoic acid
Molecular FormulaC20H22N2O6
Molecular Weight386.4
XLogP1.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity541
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCCC(=O)O)OC
InChI
InChI=1S/C20H22N2O6/c1-27-15-9-10-16(17(12-15)28-2)22-20(26)13-5-3-6-14(11-13)21-18(23)7-4-8-19(24)25/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)
InChIKey
IXPHIUQELSUDNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((3-((2,4-Dimethoxyphenyl)carbamoyl)phenyl)amino)-5-oxopentanoic acid
CAS: 667408-87-9
CID: 1217703
Formula: C20H22N2O6
MW: 386.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass386.14778643
Monoisotopic Mass386.14778643
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T73556-01CZL55

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