[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate

C24H22N2O5 — CID 46644627

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-16(27)25-19-10-8-18(9-11-19)24(29)31-22(17-6-4-3-5-7-17)23(28)26-20-12-14-21(30-2)15-13-20/h3-15,22H,1-2H3,(H,25,27)(H,26,28)
InChIKeyITBHYBZSPBVBTG-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.19
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate (PubChem CID 46644627) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
PubChem CID46644627
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-16(27)25-19-10-8-18(9-11-19)24(29)31-22(17-6-4-3-5-7-17)23(28)26-20-12-14-21(30-2)15-13-20/h3-15,22H,1-2H3,(H,25,27)(H,26,28)
InChIKeyITBHYBZSPBVBTG-UHFFFAOYSA-N
XLogP4.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 16572310
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 2624663
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
CID 46675498
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678572
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate (CID 46644627) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate is COc1ccc(NC(=O)C(OC(=O)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate?
The InChIKey is ITBHYBZSPBVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-16(27)25-19-10-8-18(9-11-19)24(29)31-22(17-6-4-3-5-7-17)23(28)26-20-12-14-21(30-2)15-13-20/h3-15,22H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate has a molecular weight of 418.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate is sourced from PubChem (CID 46644627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).