4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

C22H26N2O3 — CID 7547181

IUPAC4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-13-27-20-11-7-17(8-12-20)22(26)23-18-14-21(25)24(15-18)19-9-5-16(2)6-10-19/h5-12,18H,3-4,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyUJZVUEHIAQGVHC-SFHVURJKSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds7

About 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7547181) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7547181
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-13-27-20-11-7-17(8-12-20)22(26)23-18-14-21(25)24(15-18)19-9-5-16(2)6-10-19/h5-12,18H,3-4,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyUJZVUEHIAQGVHC-SFHVURJKSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
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)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546724
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
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
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7547181) is 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is CCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is UJZVUEHIAQGVHC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-4-13-27-20-11-7-17(8-12-20)22(26)23-18-14-21(25)24(15-18)19-9-5-16(2)6-10-19/h5-12,18H,3-4,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 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)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).