[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate

C25H23NO6 — CID 46619770

IUPAC[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-16(24(28)26-18-13-14-21(30-2)22(15-18)31-3)32-25(29)20-12-8-7-11-19(20)23(27)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,28)
InChIKeyLWTDWJZJFCTJIY-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.12
Rot. Bonds8

About [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate (PubChem CID 46619770) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
PubChem CID46619770
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-16(24(28)26-18-13-14-21(30-2)22(15-18)31-3)32-25(29)20-12-8-7-11-19(20)23(27)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,28)
InChIKeyLWTDWJZJFCTJIY-UHFFFAOYSA-N
XLogP4.12
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 3557338
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003079
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003082
[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 4225660
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate
CID 7718055
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648960
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55422318
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418035
(1-anilino-1-oxopropan-2-yl) 2-(3,4-diethoxybenzoyl)benzoate
CID 55328273
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 97066649

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The IUPAC name of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate (CID 46619770) is [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate.
What is the SMILES notation for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The canonical SMILES for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate is COc1ccc(NC(=O)C(C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The InChIKey is LWTDWJZJFCTJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-16(24(28)26-18-13-14-21(30-2)22(15-18)31-3)32-25(29)20-12-8-7-11-19(20)23(27)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,28).
What are the key properties of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate has a molecular weight of 433.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate is sourced from PubChem (CID 46619770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).