N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C21H23N3O4 — CID 9162156

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H23N3O4/c1-23(14-19(25)22-16-7-4-9-18(13-16)28-2)21(27)15-6-3-8-17(12-15)24-11-5-10-20(24)26/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyAVKHUVKWGOEJMN-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9162156) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9162156
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H23N3O4/c1-23(14-19(25)22-16-7-4-9-18(13-16)28-2)21(27)15-6-3-8-17(12-15)24-11-5-10-20(24)26/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyAVKHUVKWGOEJMN-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9161982
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9426335
2-(3,4-dimethoxy-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 47078142
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727677
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
methyl 4-[methylsulfonyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]benzoate
CID 56539474
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9162156) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is COc1cccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AVKHUVKWGOEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-23(14-19(25)22-16-7-4-9-18(13-16)28-2)21(27)15-6-3-8-17(12-15)24-11-5-10-20(24)26/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9162156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).