[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate

C24H23NO4 — CID 7949403

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2ccccc2COc2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-17-12-13-18(2)22(14-17)25-23(26)16-29-24(27)21-11-7-6-8-19(21)15-28-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyVEBOZKBQICVZBC-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.68
Rot. Bonds7

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate (PubChem CID 7949403) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
PubChem CID7949403
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2ccccc2COc2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-17-12-13-18(2)22(14-17)25-23(26)16-29-24(27)21-11-7-6-8-19(21)15-28-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyVEBOZKBQICVZBC-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653462
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653570
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate (CID 7949403) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate is Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2COc2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is VEBOZKBQICVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-12-13-18(2)22(14-17)25-23(26)16-29-24(27)21-11-7-6-8-19(21)15-28-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 389.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7949403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).