1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H28N2O4 — CID 46402015

IUPAC1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H28N2O4/c1-29-21-12-11-19(14-22(21)30-20-9-5-6-10-20)25-24(28)18-13-23(27)26(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,18,20H,5-6,9-10,13,15-16H2,1H3,(H,25,28)
InChIKeyALSNSAGYFDQVBM-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.00
Rot. Bonds7

About 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46402015) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46402015
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H28N2O4/c1-29-21-12-11-19(14-22(21)30-20-9-5-6-10-20)25-24(28)18-13-23(27)26(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,18,20H,5-6,9-10,13,15-16H2,1H3,(H,25,28)
InChIKeyALSNSAGYFDQVBM-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 41152610
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 110194127
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185132
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46402015) is 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ALSNSAGYFDQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-21-12-11-19(14-22(21)30-20-9-5-6-10-20)25-24(28)18-13-23(27)26(16-18)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,18,20H,5-6,9-10,13,15-16H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46402015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).