[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

C27H26N2O4 — CID 46659550

IUPAC[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
SMILESCc1ccc(NC(=O)C(OC(=O)Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19-9-13-22(14-10-19)28-27(32)26(21-6-3-2-4-7-21)33-25(31)18-20-11-15-23(16-12-20)29-17-5-8-24(29)30/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,28,32)
InChIKeyDHAALYGKFVQGFP-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.59
Rot. Bonds7

About [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate (PubChem CID 46659550) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
PubChem CID46659550
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
SMILESCc1ccc(NC(=O)C(OC(=O)Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19-9-13-22(14-10-19)28-27(32)26(21-6-3-2-4-7-21)33-25(31)18-20-11-15-23(16-12-20)29-17-5-8-24(29)30/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,28,32)
InChIKeyDHAALYGKFVQGFP-UHFFFAOYSA-N
XLogP4.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659070
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404586
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 55321502
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46421016
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate (CID 46659550) is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate is Cc1ccc(NC(=O)C(OC(=O)Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate?
The InChIKey is DHAALYGKFVQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19-9-13-22(14-10-19)28-27(32)26(21-6-3-2-4-7-21)33-25(31)18-20-11-15-23(16-12-20)29-17-5-8-24(29)30/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,28,32).
What are the key properties of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate?
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate has a molecular weight of 442.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate is sourced from PubChem (CID 46659550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).