(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate

C23H21NO3 — CID 7795395

IUPAC(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(24-20-14-8-3-9-15-20)17-27-23(26)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25)
InChIKeyMIAZXPGBLMTTME-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.39
Rot. Bonds7

About (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate

(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate (PubChem CID 7795395) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
PubChem CID7795395
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(24-20-14-8-3-9-15-20)17-27-23(26)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25)
InChIKeyMIAZXPGBLMTTME-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335001
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(4-nitroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752563
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2364063
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
2-aminooxy-N-phenylacetamide
CID 68980997
(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842927
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate (CID 7795395) is (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate?
The InChIKey is MIAZXPGBLMTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(24-20-14-8-3-9-15-20)17-27-23(26)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25).
What are the key properties of (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate?
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate has a molecular weight of 359.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3,3-diphenylpropanoate is sourced from PubChem (CID 7795395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).