[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate

C24H23NO4 — CID 2335957

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)25-23(26)17-29-24(27)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)
InChIKeyXMDSMUZLBLLODE-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.40
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2335957) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2335957
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)25-23(26)17-29-24(27)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)
InChIKeyXMDSMUZLBLLODE-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-(4-bromoanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335001
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
[2-(4-nitroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752563
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2335957) is [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate is COc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is XMDSMUZLBLLODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)25-23(26)17-29-24(27)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 389.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2335957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).