[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate

C23H21NO4 — CID 2337004

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-27-20-12-7-11-19(15-20)24-22(25)16-28-23(26)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,24,25)
InChIKeyBABNCBDFZNWBGW-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.08
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2337004) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID2337004
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c1-27-20-12-7-11-19(15-20)24-22(25)16-28-23(26)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,24,25)
InChIKeyBABNCBDFZNWBGW-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate (CID 2337004) is [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate is COc1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is BABNCBDFZNWBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-20-12-7-11-19(15-20)24-22(25)16-28-23(26)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,24,25).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 375.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2337004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).