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

C24H23NO3 — CID 4847422

IUPAC[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-12-14-21(15-13-18)25-23(26)17-28-24(27)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,26)
InChIKeyNNZQPRCYMAOVKX-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.70
Rot. Bonds7

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

[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 4847422) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID4847422
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-12-14-21(15-13-18)25-23(26)17-28-24(27)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,26)
InChIKeyNNZQPRCYMAOVKX-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(4-bromoanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335001
[2-(4-nitroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752563
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834262
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2364063
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 4847422) is [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate is Cc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is NNZQPRCYMAOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18-12-14-21(15-13-18)25-23(26)17-28-24(27)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 373.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 4847422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).