[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C23H24N2O5 — CID 4221516

IUPAC[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C23H24N2O5/c1-14-8-10-17(11-9-14)21(27)16(3)30-23(29)18-12-20(26)25(13-18)24-22(28)19-7-5-4-6-15(19)2/h4-11,16,18H,12-13H2,1-3H3,(H,24,28)
InChIKeyYEWISPLKAMZQPA-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.61
Rot. Bonds6

About [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 4221516) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID4221516
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C23H24N2O5/c1-14-8-10-17(11-9-14)21(27)16(3)30-23(29)18-12-20(26)25(13-18)24-22(28)19-7-5-4-6-15(19)2/h4-11,16,18H,12-13H2,1-3H3,(H,24,28)
InChIKeyYEWISPLKAMZQPA-UHFFFAOYSA-N
XLogP2.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281807
[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281763
1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 3329799
[(2S)-1-oxo-1-phenylpropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004235
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004026
(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 9168892
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 1095965
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 1218770
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004099
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004241
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281773
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 4221516) is [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is YEWISPLKAMZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-8-10-17(11-9-14)21(27)16(3)30-23(29)18-12-20(26)25(13-18)24-22(28)19-7-5-4-6-15(19)2/h4-11,16,18H,12-13H2,1-3H3,(H,24,28).
What are the key properties of [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4221516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).