methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate

C16H15NO4 — CID 176550811

IUPACmethyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)cc(O)c2)cc1
InChIInChI=1S/C16H15NO4/c1-10-7-12(9-14(18)8-10)15(19)17-13-5-3-11(4-6-13)16(20)21-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIHLDWBKRTITSRP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.74
Rot. Bonds3

About methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate

methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate (PubChem CID 176550811) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
PubChem CID176550811
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)cc(O)c2)cc1
InChIInChI=1S/C16H15NO4/c1-10-7-12(9-14(18)8-10)15(19)17-13-5-3-11(4-6-13)16(20)21-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIHLDWBKRTITSRP-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
methyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate
CID 918694
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate (CID 176550811) is methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(C)cc(O)c2)cc1.
What is the InChIKey of methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate?
The InChIKey is IHLDWBKRTITSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-7-12(9-14(18)8-10)15(19)17-13-5-3-11(4-6-13)16(20)21-2/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate?
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 176550811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).