2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide

C12H17NO4 — CID 65109444

IUPAC2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)O)c1O
InChIInChI=1S/C12H17NO4/c1-12(2,16)7-13-11(15)8-5-4-6-9(17-3)10(8)14/h4-6,14,16H,7H2,1-3H3,(H,13,15)
InChIKeyASVLTMAUMYHCAT-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.90
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide

2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide (PubChem CID 65109444) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
PubChem CID65109444
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)O)c1O
InChIInChI=1S/C12H17NO4/c1-12(2,16)7-13-11(15)8-5-4-6-9(17-3)10(8)14/h4-6,14,16H,7H2,1-3H3,(H,13,15)
InChIKeyASVLTMAUMYHCAT-UHFFFAOYSA-N
XLogP0.90
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 114149304
N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
CID 118462789
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide (CID 65109444) is 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(C)O)c1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide?
The InChIKey is ASVLTMAUMYHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,16)7-13-11(15)8-5-4-6-9(17-3)10(8)14/h4-6,14,16H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide?
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 65109444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).