[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C27H28N2O5 — CID 2706279

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C27H28N2O5/c1-18-8-14-23(19(2)16-18)28-26(31)17-34-27(32)22-6-4-5-7-24(22)29-25(30)15-11-20-9-12-21(33-3)13-10-20/h4-10,12-14,16H,11,15,17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyACQUWCXBQXWNGE-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.68
Rot. Bonds9

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 2706279) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID2706279
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C27H28N2O5/c1-18-8-14-23(19(2)16-18)28-26(31)17-34-27(32)22-6-4-5-7-24(22)29-25(30)15-11-20-9-12-21(33-3)13-10-20/h4-10,12-14,16H,11,15,17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyACQUWCXBQXWNGE-UHFFFAOYSA-N
XLogP4.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 2706279) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is ACQUWCXBQXWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-18-8-14-23(19(2)16-18)28-26(31)17-34-27(32)22-6-4-5-7-24(22)29-25(30)15-11-20-9-12-21(33-3)13-10-20/h4-10,12-14,16H,11,15,17H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 460.53 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 2706279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).