N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H22N2O2 — CID 6497289

IUPACN-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)NC2CCCC2)CC1=O
InChIInChI=1S/C17H22N2O2/c1-12-6-2-5-9-15(12)19-11-13(10-16(19)20)17(21)18-14-7-3-4-8-14/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyDZDJGHANQOVDKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.41
Rot. Bonds3

About N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497289) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6497289
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)NC2CCCC2)CC1=O
InChIInChI=1S/C17H22N2O2/c1-12-6-2-5-9-15(12)19-11-13(10-16(19)20)17(21)18-14-7-3-4-8-14/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyDZDJGHANQOVDKX-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6497289) is N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)NC2CCCC2)CC1=O.
What is the InChIKey of N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DZDJGHANQOVDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-2-5-9-15(12)19-11-13(10-16(19)20)17(21)18-14-7-3-4-8-14/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).