N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C17H22N2O3 — CID 113182716

IUPACN-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)18-17(21)13-9-16(20)19(10-13)11-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyXEAMDMQWVJEQMZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.96
Rot. Bonds4

About N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113182716) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113182716
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)18-17(21)13-9-16(20)19(10-13)11-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyXEAMDMQWVJEQMZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182791
N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182761
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182657
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7409309

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113182716) is N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XEAMDMQWVJEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-4-6-14(7-5-12)18-17(21)13-9-16(20)19(10-13)11-15-3-2-8-22-15/h4-7,13,15H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).