[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate

C25H24N2O5 — CID 16536891

IUPAC[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCOc1cccc(NC(=O)C(OC(=O)CNC(=O)c2cccc(C)c2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c1-17-8-6-11-19(14-17)24(29)26-16-22(28)32-23(18-9-4-3-5-10-18)25(30)27-20-12-7-13-21(15-20)31-2/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYJCUTMQZZLUQTJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.66
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 16536891) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID16536891
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCOc1cccc(NC(=O)C(OC(=O)CNC(=O)c2cccc(C)c2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c1-17-8-6-11-19(14-17)24(29)26-16-22(28)32-23(18-9-4-3-5-10-18)25(30)27-20-12-7-13-21(15-20)31-2/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYJCUTMQZZLUQTJ-UHFFFAOYSA-N
XLogP3.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363900
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662521
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18225273
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884337
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
CID 8661214

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 16536891) is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate is COc1cccc(NC(=O)C(OC(=O)CNC(=O)c2cccc(C)c2)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is YJCUTMQZZLUQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17-8-6-11-19(14-17)24(29)26-16-22(28)32-23(18-9-4-3-5-10-18)25(30)27-20-12-7-13-21(15-20)31-2/h3-15,23H,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 432.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 16536891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).