N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C22H26N2O4 — CID 46247157

IUPACN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-22(21(26)23-14-16-7-5-4-6-8-16)12-11-20(25)24(22)15-17-9-10-18(27-2)19(13-17)28-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyBYUOFGKRLLXULX-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.90
Rot. Bonds7

About N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46247157) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46247157
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-22(21(26)23-14-16-7-5-4-6-8-16)12-11-20(25)24(22)15-17-9-10-18(27-2)19(13-17)28-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyBYUOFGKRLLXULX-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92656011
(2S)-N-benzyl-1-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722339
N-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756719
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92696010
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
(2R)-N-benzyl-2-methyl-1-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92734431
(2R)-N-benzyl-1-[2-(2-chlorophenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734433
(2R)-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46247157) is N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BYUOFGKRLLXULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(21(26)23-14-16-7-5-4-6-8-16)12-11-20(25)24(22)15-17-9-10-18(27-2)19(13-17)28-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46247157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).