(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide

C18H20N2O2 — CID 8713924

IUPAC(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13-7-6-10-16(11-13)20-18(22)12-17(19-14(2)21)15-8-4-3-5-9-15/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyBMDYQMLHOACHCJ-KRWDZBQOSA-N
MW296.37 g/mol
LogP3.20
Rot. Bonds5

About (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide

(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide (PubChem CID 8713924) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
PubChem CID8713924
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13-7-6-10-16(11-13)20-18(22)12-17(19-14(2)21)15-8-4-3-5-9-15/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyBMDYQMLHOACHCJ-KRWDZBQOSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide (CID 8713924) is (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)Nc1cccc(C)c1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide?
The InChIKey is BMDYQMLHOACHCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-6-10-16(11-13)20-18(22)12-17(19-14(2)21)15-8-4-3-5-9-15/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide?
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide has a molecular weight of 296.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 8713924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).