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

C21H24N2O3 — CID 46109759

IUPACN-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)Cc3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-22(13-16-7-4-3-5-8-16)21(25)18-12-20(24)23(15-18)14-17-9-6-10-19(11-17)26-2/h3-11,18H,12-15H2,1-2H3
InChIKeyWLKGMQRZOJHJDZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.70
Rot. Bonds6

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

N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109759) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46109759
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)N(C)Cc3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-22(13-16-7-4-3-5-8-16)21(25)18-12-20(24)23(15-18)14-17-9-6-10-19(11-17)26-2/h3-11,18H,12-15H2,1-2H3
InChIKeyWLKGMQRZOJHJDZ-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131915151
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42947066
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 39982908
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 46109759) is N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1cccc(CN2CC(C(=O)N(C)Cc3ccccc3)CC2=O)c1.
What is the InChIKey of N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WLKGMQRZOJHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22(13-16-7-4-3-5-8-16)21(25)18-12-20(24)23(15-18)14-17-9-6-10-19(11-17)26-2/h3-11,18H,12-15H2,1-2H3.
What are the key properties of N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).