1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

C21H24N2O2 — CID 42702695

IUPAC1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-9-20(24)23-15-8-14-19(23)21(25)22-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,22,25)
InChIKeyQDIBHTQYKTWSQV-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.08
Rot. Bonds5

About 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 42702695) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
PubChem CID42702695
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-9-20(24)23-15-8-14-19(23)21(25)22-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,22,25)
InChIKeyQDIBHTQYKTWSQV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-fluorobenzoic acid
CID 129414607
1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 136516101
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-butanoylpyrrolidine-2-carboxamide
CID 112845098
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 94033051
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (CID 42702695) is 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QDIBHTQYKTWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-9-20(24)23-15-8-14-19(23)21(25)22-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,22,25).
What are the key properties of 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42702695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).