N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 3245134

IUPACN-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)10-11-21-13-16(12-18(21)22)19(23)20-17-4-2-3-5-17/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyVITIJFOKTOYMDB-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.44
Rot. Bonds5

About N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3245134) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3245134
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)10-11-21-13-16(12-18(21)22)19(23)20-17-4-2-3-5-17/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyVITIJFOKTOYMDB-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.44
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-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3245134) is N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NC3CCCC3)CC2=O)cc1.
What is the InChIKey of N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VITIJFOKTOYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)10-11-21-13-16(12-18(21)22)19(23)20-17-4-2-3-5-17/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3245134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).