(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C20H20N2O3 — CID 29132676

IUPAC(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(23)14-8-10-16(11-9-14)21-20(25)17-12-18(24)22(2)19(17)15-6-4-3-5-7-15/h3-11,17,19H,12H2,1-2H3,(H,21,25)/t17-,19-/m0/s1
InChIKeyUCMHQGNWDDNTLX-HKUYNNGSSA-N
MW336.39 g/mol
LogP3.05
Rot. Bonds4

About (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 29132676) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID29132676
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(23)14-8-10-16(11-9-14)21-20(25)17-12-18(24)22(2)19(17)15-6-4-3-5-7-15/h3-11,17,19H,12H2,1-2H3,(H,21,25)/t17-,19-/m0/s1
InChIKeyUCMHQGNWDDNTLX-HKUYNNGSSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652477
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 29132676) is (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is UCMHQGNWDDNTLX-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(23)14-8-10-16(11-9-14)21-20(25)17-12-18(24)22(2)19(17)15-6-4-3-5-7-15/h3-11,17,19H,12H2,1-2H3,(H,21,25)/t17-,19-/m0/s1.
What are the key properties of (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29132676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).