4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

C21H24N2O3 — CID 7546724

IUPAC4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-3-13-26-19-11-9-16(10-12-19)21(25)22-17-14-20(24)23(15-17)18-7-5-4-6-8-18/h4-12,17H,2-3,13-15H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyUTTKSJZZWVGYHK-KRWDZBQOSA-N
MW352.43 g/mol
LogP3.40
Rot. Bonds7

About 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 7546724) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID7546724
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-3-13-26-19-11-9-16(10-12-19)21(25)22-17-14-20(24)23(15-17)18-7-5-4-6-8-18/h4-12,17H,2-3,13-15H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyUTTKSJZZWVGYHK-KRWDZBQOSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7548914
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 16822230
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 7546724) is 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is CCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is UTTKSJZZWVGYHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-3-13-26-19-11-9-16(10-12-19)21(25)22-17-14-20(24)23(15-17)18-7-5-4-6-8-18/h4-12,17H,2-3,13-15H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7546724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).