(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide

C19H22N2O2 — CID 8743897

IUPAC(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13-9-10-17(11-14(13)2)21-19(23)12-18(20-15(3)22)16-7-5-4-6-8-16/h4-11,18H,12H2,1-3H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyKPHDVDAJXAMXMX-GOSISDBHSA-N
MW310.40 g/mol
LogP3.51
Rot. Bonds5

About (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide

(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide (PubChem CID 8743897) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
PubChem CID8743897
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13-9-10-17(11-14(13)2)21-19(23)12-18(20-15(3)22)16-7-5-4-6-8-16/h4-11,18H,12H2,1-3H3,(H,20,22)(H,21,23)/t18-/m1/s1
InChIKeyKPHDVDAJXAMXMX-GOSISDBHSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide (CID 8743897) is (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is KPHDVDAJXAMXMX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-9-10-17(11-14(13)2)21-19(23)12-18(20-15(3)22)16-7-5-4-6-8-16/h4-11,18H,12H2,1-3H3,(H,20,22)(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide?
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 8743897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).