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Z4P

CAT: 0127-BUP21036-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21036-02Size:10 mg
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CAS Number
2361760-87-2
Synonyms
Z4-P
Purity
=98%
Smiles
O=C(NC1=CC(=CC=C1C)C)NC(C)CCC2=CC=C(O)C=C2

Chemical Information

N-(2,5-Dimethylphenyl)-N'-[3-(4-hydroxyphenyl)-1-methylpropyl]urea
CAS Number2361760-87-2
PubChem CID146132000
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
Molecular FormulaC19H24N2O2
Molecular Weight312.4
XLogP4
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity366
SMILES
CC1=CC(=C(C=C1)C)NC(=O)NC(C)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H24N2O2/c1-13-4-5-14(2)18(12-13)21-19(23)20-15(3)6-7-16-8-10-17(22)11-9-16/h4-5,8-12,15,22H,6-7H2,1-3H3,(H2,20,21,23)
InChIKey
SWCGKGWNEOWHGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,5-Dimethylphenyl)-N'-[3-(4-hydroxyphenyl)-1-methylpropyl]urea
CAS: 2361760-87-2
CID: 146132000
Formula: C19H24N2O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass312.183778013
Monoisotopic Mass312.183778013
Topological Polar Surface Area61.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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