1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 42992516

IUPAC1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c1-14-8-9-18(25-2)17(10-14)21-20(24)16-11-19(23)22(13-16)12-15-6-4-3-5-7-15/h3-10,16H,11-13H2,1-2H3,(H,21,24)
InChIKeyNJYLOWRQTNOZOX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds5

About 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42992516) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42992516
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c1-14-8-9-18(25-2)17(10-14)21-20(24)16-11-19(23)22(13-16)12-15-6-4-3-5-7-15/h3-10,16H,11-13H2,1-2H3,(H,21,24)
InChIKeyNJYLOWRQTNOZOX-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
1-benzyl-N-(2-butoxy-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46436974
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191304
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
1-[(3,4-dimethoxyphenyl)methyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185143
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185132

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42992516) is 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NJYLOWRQTNOZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-8-9-18(25-2)17(10-14)21-20(24)16-11-19(23)22(13-16)12-15-6-4-3-5-7-15/h3-10,16H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.99, 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-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42992516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).