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

C24H23NO4 — CID 2356149

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-22-15-9-8-14-21(22)25-23(26)17-29-24(27)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,25,26)
InChIKeyMJTGQDXFMOPLQS-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.40
Rot. Bonds8

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

[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2356149) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2356149
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-22-15-9-8-14-21(22)25-23(26)17-29-24(27)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,25,26)
InChIKeyMJTGQDXFMOPLQS-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-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2356149) is [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate is COc1ccccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is MJTGQDXFMOPLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-22-15-9-8-14-21(22)25-23(26)17-29-24(27)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(2-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-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2356149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).