N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C23H27N3O4 — CID 42946558

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2=O)c1
InChIInChI=1S/C23H27N3O4/c1-15-8-9-16(2)20(10-15)24-21(27)14-25(3)23(29)17-11-22(28)26(13-17)18-6-5-7-19(12-18)30-4/h5-10,12,17H,11,13-14H2,1-4H3,(H,24,27)
InChIKeyNWUYJCVVOWPYOK-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42946558) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42946558
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2=O)c1
InChIInChI=1S/C23H27N3O4/c1-15-8-9-16(2)20(10-15)24-21(27)14-25(3)23(29)17-11-22(28)26(13-17)18-6-5-7-19(12-18)30-4/h5-10,12,17H,11,13-14H2,1-4H3,(H,24,27)
InChIKeyNWUYJCVVOWPYOK-UHFFFAOYSA-N
XLogP2.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51869964
(3R)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8637851
1-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18112343
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
(2,5-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056899
methyl 3-[4-[(2,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189317
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55834695
1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751538
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55606205
1-(3,5-difluorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55997845

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 42946558) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2=O)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NWUYJCVVOWPYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-8-9-16(2)20(10-15)24-21(27)14-25(3)23(29)17-11-22(28)26(13-17)18-6-5-7-19(12-18)30-4/h5-10,12,17H,11,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42946558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).