(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide

C19H19N3O2 — CID 9259796

IUPAC(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(23)21-18(16-5-3-2-4-6-16)13-19(24)22-17-9-7-15(8-10-17)11-12-20/h2-10,18H,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyMKBXTISMRAMGBB-GOSISDBHSA-N
MW321.38 g/mol
LogP2.96
Rot. Bonds6

About (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide

(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide (PubChem CID 9259796) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
PubChem CID9259796
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(23)21-18(16-5-3-2-4-6-16)13-19(24)22-17-9-7-15(8-10-17)11-12-20/h2-10,18H,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyMKBXTISMRAMGBB-GOSISDBHSA-N
XLogP2.96
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide (CID 9259796) is (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
The InChIKey is MKBXTISMRAMGBB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(23)21-18(16-5-3-2-4-6-16)13-19(24)22-17-9-7-15(8-10-17)11-12-20/h2-10,18H,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide has a molecular weight of 321.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 9259796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).