N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H20N2O3 — CID 110793891

IUPACN-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1cc(CNC(=O)C2CCC(=O)N2)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-11-8-10(4-6-13(11)20-2)9-16-15(19)12-5-7-14(18)17-12/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRWQLRCNWAWHPCF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.15
Rot. Bonds5

About N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110793891) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110793891
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1cc(CNC(=O)C2CCC(=O)N2)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-11-8-10(4-6-13(11)20-2)9-16-15(19)12-5-7-14(18)17-12/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRWQLRCNWAWHPCF-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795519
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
CID 115191824
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110793891) is N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCc1cc(CNC(=O)C2CCC(=O)N2)ccc1OC.
What is the InChIKey of N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RWQLRCNWAWHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11-8-10(4-6-13(11)20-2)9-16-15(19)12-5-7-14(18)17-12/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110793891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).