1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H24N2O3 — CID 4662679

IUPAC1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-23-16-8-6-13(7-9-16)11-19-18(22)14-10-17(21)20(12-14)15-4-2-3-5-15/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,22)
InChIKeyGTIPTPXDVIJTIK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4662679) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4662679
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-23-16-8-6-13(7-9-16)11-19-18(22)14-10-17(21)20(12-14)15-4-2-3-5-15/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,22)
InChIKeyGTIPTPXDVIJTIK-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4662679) is 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GTIPTPXDVIJTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-16-8-6-13(7-9-16)11-19-18(22)14-10-17(21)20(12-14)15-4-2-3-5-15/h6-9,14-15H,2-5,10-12H2,1H3,(H,19,22).
What are the key properties of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4662679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).