[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate

C24H23NO4 — CID 7240128

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H23NO4/c1-17-11-12-18(2)22(13-17)25-23(26)16-29-24(27)20-9-6-10-21(14-20)28-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyITTMUQDQWFJIRZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.68
Rot. Bonds7

About [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate

[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate (PubChem CID 7240128) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
PubChem CID7240128
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H23NO4/c1-17-11-12-18(2)22(13-17)25-23(26)16-29-24(27)20-9-6-10-21(14-20)28-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyITTMUQDQWFJIRZ-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-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240119
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240038
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949403
[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625803
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-phenylmethoxybenzoate
CID 7240043
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(2,5-dimethylanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597123

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate (CID 7240128) is [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate is Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate?
The InChIKey is ITTMUQDQWFJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-11-12-18(2)22(13-17)25-23(26)16-29-24(27)20-9-6-10-21(14-20)28-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate 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] 3-phenylmethoxybenzoate is sourced from PubChem (CID 7240128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).