[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate

C24H21NO6 — CID 2663411

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H21NO6/c1-29-17-12-13-19(22(14-17)30-2)21(26)15-31-24(28)18-10-6-7-11-20(18)25-23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyKKRDWTSZWONKDO-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.00
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 2663411) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID2663411
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H21NO6/c1-29-17-12-13-19(22(14-17)30-2)21(26)15-31-24(28)18-10-6-7-11-20(18)25-23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyKKRDWTSZWONKDO-UHFFFAOYSA-N
XLogP4.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42970439
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate (CID 2663411) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate is COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is KKRDWTSZWONKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-17-12-13-19(22(14-17)30-2)21(26)15-31-24(28)18-10-6-7-11-20(18)25-23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 419.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 2663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).