[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate

C23H19NO5 — CID 1217734

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19NO5/c1-28-18-11-7-10-17(14-18)21(25)15-29-23(27)19-12-5-6-13-20(19)24-22(26)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26)
InChIKeyPJEBHQJNQWEKIY-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.99
Rot. Bonds7

About [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate

[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 1217734) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID1217734
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
SMILESCOc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19NO5/c1-28-18-11-7-10-17(14-18)21(25)15-29-23(27)19-12-5-6-13-20(19)24-22(26)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26)
InChIKeyPJEBHQJNQWEKIY-UHFFFAOYSA-N
XLogP3.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
CID 5253310
[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
CID 154371121
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate (CID 1217734) is [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate is COc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is PJEBHQJNQWEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-18-11-7-10-17(14-18)21(25)15-29-23(27)19-12-5-6-13-20(19)24-22(26)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 389.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 1217734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).