[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate

C16H15NO4 — CID 2628228

IUPAC[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H15NO4/c1-11-4-2-6-13(8-11)17-15(19)10-21-16(20)12-5-3-7-14(18)9-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyPKTFHCQQHSSULQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.50
Rot. Bonds4

About [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628228) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628228
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H15NO4/c1-11-4-2-6-13(8-11)17-15(19)10-21-16(20)12-5-3-7-14(18)9-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyPKTFHCQQHSSULQ-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
[2-(3-methylanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555783
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628078
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(3-methylanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512864
[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588243
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-(3-methylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269959
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628228) is [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate is Cc1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is PKTFHCQQHSSULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-4-2-6-13(8-11)17-15(19)10-21-16(20)12-5-3-7-14(18)9-12/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2628228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).