(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C21H24N2O2 — CID 9400697

IUPAC(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)23-14-18(13-19(23)24)21(25)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyQATHVGZKVJMLIF-SFHVURJKSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds5

About (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 9400697) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID9400697
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)23-14-18(13-19(23)24)21(25)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyQATHVGZKVJMLIF-SFHVURJKSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221
(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
(3R)-3-(2-methylphenyl)-3-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 124682952
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
(3S)-N-(benzhydrylideneamino)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95275334
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 9400697) is (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QATHVGZKVJMLIF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)23-14-18(13-19(23)24)21(25)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).