(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O4 — CID 51869964

IUPAC(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C22H25N3O4/c1-15-7-9-18(10-8-15)25-13-16(11-21(25)27)22(28)24(2)14-20(26)23-17-5-4-6-19(12-17)29-3/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyHKGJCIPINDCJPQ-MRXNPFEDSA-N
MW395.46 g/mol
LogP2.45
Rot. Bonds6

About (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51869964) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51869964
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C22H25N3O4/c1-15-7-9-18(10-8-15)25-13-16(11-21(25)27)22(28)24(2)14-20(26)23-17-5-4-6-19(12-17)29-3/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyHKGJCIPINDCJPQ-MRXNPFEDSA-N
XLogP2.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42946558
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18112343
1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55834695
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92712372
N-ethyl-1-(4-fluoro-3-nitrophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55571397
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51869964) is (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1.
What is the InChIKey of (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HKGJCIPINDCJPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-7-9-18(10-8-15)25-13-16(11-21(25)27)22(28)24(2)14-20(26)23-17-5-4-6-19(12-17)29-3/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51869964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).