1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H24N2O3 — CID 3241771

IUPAC1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H24N2O3/c1-23-16-9-5-2-6-13(16)11-19-18(22)14-10-17(21)20(12-14)15-7-3-4-8-15/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyITUYDFBLNGUZMN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3241771) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3241771
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H24N2O3/c1-23-16-9-5-2-6-13(16)11-19-18(22)14-10-17(21)20(12-14)15-7-3-4-8-15/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyITUYDFBLNGUZMN-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-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 3241771) is 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ITUYDFBLNGUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-16-9-5-2-6-13(16)11-19-18(22)14-10-17(21)20(12-14)15-7-3-4-8-15/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of 1-cyclopentyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[(2-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-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3241771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).