N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H28N2O4 — CID 9277349

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-11-20(28-3)21(29-4)13-19(16)15-24(2)23(27)18-8-5-7-17(12-18)14-25-10-6-9-22(25)26/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3
InChIKeyVMBDGMMJRIKBSG-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.41
Rot. Bonds7

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9277349) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9277349
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-11-20(28-3)21(29-4)13-19(16)15-24(2)23(27)18-8-5-7-17(12-18)14-25-10-6-9-22(25)26/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3
InChIKeyVMBDGMMJRIKBSG-UHFFFAOYSA-N
XLogP3.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
3-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]benzoic acid
CID 120690589
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
CID 126804160
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46584276
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111296715
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9264414
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9277349) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is COc1cc(C)c(CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VMBDGMMJRIKBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-11-20(28-3)21(29-4)13-19(16)15-24(2)23(27)18-8-5-7-17(12-18)14-25-10-6-9-22(25)26/h5,7-8,11-13H,6,9-10,14-15H2,1-4H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9277349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).