methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate

C22H24N2O4 — CID 8919927

IUPACmethyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1
InChIInChI=1S/C22H24N2O4/c1-13-6-5-7-19(15(13)3)24-12-17(11-20(24)25)21(26)23-18-10-16(22(27)28-4)9-8-14(18)2/h5-10,17H,11-12H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyCKHRQCTZUOYJGF-KRWDZBQOSA-N
MW380.44 g/mol
LogP3.39
Rot. Bonds4

About methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate

methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate (PubChem CID 8919927) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
PubChem CID8919927
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1
InChIInChI=1S/C22H24N2O4/c1-13-6-5-7-19(15(13)3)24-12-17(11-20(24)25)21(26)23-18-10-16(22(27)28-4)9-8-14(18)2/h5-10,17H,11-12H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyCKHRQCTZUOYJGF-KRWDZBQOSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
methyl 3-[4-[(2,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189317
methyl 3-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113185952
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
(3S)-N-(2,4-dibromophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529075
(3R)-N-(2,4-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1332768
(3R)-N-(5-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51532988
N-(2,5-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997285
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate (CID 8919927) is methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1.
What is the InChIKey of methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate?
The InChIKey is CKHRQCTZUOYJGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-6-5-7-19(15(13)3)24-12-17(11-20(24)25)21(26)23-18-10-16(22(27)28-4)9-8-14(18)2/h5-10,17H,11-12H2,1-4H3,(H,23,26)/t17-/m0/s1.
What are the key properties of methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate?
methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate has a molecular weight of 380.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate is sourced from PubChem (CID 8919927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).