1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

C19H20N2O3 — CID 110421891

IUPAC1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-17-10-6-5-9-15(17)20-19(23)16-11-12-18(22)21(16)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,20,23)
InChIKeyULJNUSYNSWEPOQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.82
Rot. Bonds5

About 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110421891) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110421891
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-17-10-6-5-9-15(17)20-19(23)16-11-12-18(22)21(16)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,20,23)
InChIKeyULJNUSYNSWEPOQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110426937
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 91955432

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110421891) is 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is COc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ULJNUSYNSWEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-10-6-5-9-15(17)20-19(23)16-11-12-18(22)21(16)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110421891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).