ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate

C24H23NO4 — CID 71516178

IUPACethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
SMILESCCOC(=O)C(C(=O)Nc1ccc(OC)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-3-29-23(27)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22(26)25-20-14-16-21(28-2)17-15-20/h4-17H,3H2,1-2H3,(H,25,26)
InChIKeyWVORTLNDELQWOO-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.18
Rot. Bonds7

About ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate

ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate (PubChem CID 71516178) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
PubChem CID71516178
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
SMILESCCOC(=O)C(C(=O)Nc1ccc(OC)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-3-29-23(27)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22(26)25-20-14-16-21(28-2)17-15-20/h4-17H,3H2,1-2H3,(H,25,26)
InChIKeyWVORTLNDELQWOO-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
CID 132569331
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
ethyl 2-benzyl-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 71516313
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
ethyl 2-fluoro-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 139665562
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate?
The IUPAC name of ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate (CID 71516178) is ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate.
What is the SMILES notation for ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate?
The canonical SMILES for ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate is CCOC(=O)C(C(=O)Nc1ccc(OC)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate?
The InChIKey is WVORTLNDELQWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-29-23(27)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22(26)25-20-14-16-21(28-2)17-15-20/h4-17H,3H2,1-2H3,(H,25,26).
What are the key properties of ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate?
ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate has a molecular weight of 389.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate is sourced from PubChem (CID 71516178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).