1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H24N2O2 — CID 3241770

IUPAC1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-18(17(22)19-15-9-5-6-10-15)12-11-16(21)20(18)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,22)
InChIKeyYGZQDTWFNSJTJW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.63
Rot. Bonds4

About 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3241770) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3241770
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-18(17(22)19-15-9-5-6-10-15)12-11-16(21)20(18)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,22)
InChIKeyYGZQDTWFNSJTJW-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 3241770) is 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YGZQDTWFNSJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(17(22)19-15-9-5-6-10-15)12-11-16(21)20(18)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,22).
What are the key properties of 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3241770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).