[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate

C24H23NO5 — CID 2715818

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-19-12-13-22(29-2)21(15-19)25-23(26)16-30-24(27)20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26)
InChIKeyRVZKPIGVYOQDFQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.09
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2715818) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID2715818
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-19-12-13-22(29-2)21(15-19)25-23(26)16-30-24(27)20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26)
InChIKeyRVZKPIGVYOQDFQ-UHFFFAOYSA-N
XLogP4.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzylbenzoate
CID 23847548
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate (CID 2715818) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate is COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is RVZKPIGVYOQDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-19-12-13-22(29-2)21(15-19)25-23(26)16-30-24(27)20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 405.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).