(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide

C22H26N2O2 — CID 9398236

IUPAC(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H26N2O2/c1-2-3-14-24-16-19(15-20(24)25)22(26)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyDEHYHJBPOOUBSV-IBGZPJMESA-N
MW350.46 g/mol
LogP3.54
Rot. Bonds7

About (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398236) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9398236
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H26N2O2/c1-2-3-14-24-16-19(15-20(24)25)22(26)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyDEHYHJBPOOUBSV-IBGZPJMESA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
(3S)-1-butyl-5-oxo-N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9400198
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 9398236) is (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DEHYHJBPOOUBSV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-14-24-16-19(15-20(24)25)22(26)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).