RY796

CAT: 0607-BA6979-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA6979-5.1Size:1 mL (10 mM in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1393441-53-6

Form

A solid

Molecular Formula

C21H27N3O2

Molecular Weight

353.46

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide

CAS Number	1393441-53-6
PubChem CID	76850157
IUPAC Name	2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide
Molecular Formula	C21H27N3O2
Molecular Weight	353.5
XLogP	3.4
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	472

SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)C)N(C)C

InChI

InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1

InChIKey

LDXZFQWWXMRMAS-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 1393441-53-6

CID: 76850157

Formula: C21H27N3O2

MW: 353.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.5
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	353.21032711
Monoisotopic Mass	353.21032711
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T16815	RY796