N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide

C14H18N2O2 — CID 7546570

IUPACN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-2-6-13(17)15-11-9-14(18)16(10-11)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyMCLOLPFRDICVII-NSHDSACASA-N
MW246.31 g/mol
LogP1.71
Rot. Bonds4

About N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide

N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide (PubChem CID 7546570) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
PubChem CID7546570
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-2-6-13(17)15-11-9-14(18)16(10-11)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyMCLOLPFRDICVII-NSHDSACASA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 7546964
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide (CID 7546570) is N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide is CCCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide?
The InChIKey is MCLOLPFRDICVII-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-6-13(17)15-11-9-14(18)16(10-11)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide?
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide is sourced from PubChem (CID 7546570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).