[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H23NO5 — CID 7191567

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-2-29-21-16-10-9-15-20(21)25-22(26)17-30-23(27)24(28,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3,(H,25,26)
InChIKeyMGFPVHDNLRSLEL-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.50
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191567) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7191567
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-2-29-21-16-10-9-15-20(21)25-22(26)17-30-23(27)24(28,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3,(H,25,26)
InChIKeyMGFPVHDNLRSLEL-UHFFFAOYSA-N
XLogP3.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
CID 174193763
CID 174193763

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7191567) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CCOc1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is MGFPVHDNLRSLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-2-29-21-16-10-9-15-20(21)25-22(26)17-30-23(27)24(28,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3,(H,25,26).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 405.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).