[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate

C24H21NO6 — CID 7766787

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H21NO6/c1-29-20-13-12-17(14-21(20)30-2)24(28)31-15-22(26)25-19-11-7-6-10-18(19)23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVLYQGWPZRFSJA-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.73
Rot. Bonds8

About [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 7766787) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID7766787
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H21NO6/c1-29-20-13-12-17(14-21(20)30-2)24(28)31-15-22(26)25-19-11-7-6-10-18(19)23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVLYQGWPZRFSJA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194535
[2-(2,3-dimethylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 724451
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964833
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (CID 7766787) is [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is TVLYQGWPZRFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-20-13-12-17(14-21(20)30-2)24(28)31-15-22(26)25-19-11-7-6-10-18(19)23(27)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 419.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 7766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).