N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C22H26N2O2 — CID 110627914

IUPACN-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-10-12-18(13-11-17)7-5-6-14-23-22(26)19-15-21(25)24(16-19)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-16H2,1H3,(H,23,26)
InChIKeyZYBMGHRJTHZHJU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.49
Rot. Bonds7

About N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 110627914) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID110627914
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-10-12-18(13-11-17)7-5-6-14-23-22(26)19-15-21(25)24(16-19)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-16H2,1H3,(H,23,26)
InChIKeyZYBMGHRJTHZHJU-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727059
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 18126445
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 110627914) is N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccc(CCCCNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZYBMGHRJTHZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-10-12-18(13-11-17)7-5-6-14-23-22(26)19-15-21(25)24(16-19)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-16H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110627914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).