[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C23H19NO6 — CID 7133669

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H19NO6/c1-29-22(27)17-6-10-19(11-7-17)24-21(26)14-30-23(28)18-4-2-15(3-5-18)16-8-12-20(25)13-9-16/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyAUSTXVPAIBZJDQ-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.64
Rot. Bonds6

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133669) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133669
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H19NO6/c1-29-22(27)17-6-10-19(11-7-17)24-21(26)14-30-23(28)18-4-2-15(3-5-18)16-8-12-20(25)13-9-16/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyAUSTXVPAIBZJDQ-UHFFFAOYSA-N
XLogP3.64
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808357
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 3-bromobenzoate
CID 7663305
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 7777348
4-O-[2-(3,5-dichloroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296675
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 7133669) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is AUSTXVPAIBZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-29-22(27)17-6-10-19(11-7-17)24-21(26)14-30-23(28)18-4-2-15(3-5-18)16-8-12-20(25)13-9-16/h2-13,25H,14H2,1H3,(H,24,26).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 405.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).