N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide

C13H19NO4 — CID 65110006

IUPACN-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)O)c1OC
InChIInChI=1S/C13H19NO4/c1-13(2,16)8-14-12(15)9-6-5-7-10(17-3)11(9)18-4/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyBLAYYSCMWPRWAW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.20
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide

N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide (PubChem CID 65110006) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
PubChem CID65110006
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)O)c1OC
InChIInChI=1S/C13H19NO4/c1-13(2,16)8-14-12(15)9-6-5-7-10(17-3)11(9)18-4/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyBLAYYSCMWPRWAW-UHFFFAOYSA-N
XLogP1.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide 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-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
CID 118462789
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2,3-dimethoxybenzamide
CID 32765213

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide (CID 65110006) is N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(C)(C)O)c1OC.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide?
The InChIKey is BLAYYSCMWPRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,16)8-14-12(15)9-6-5-7-10(17-3)11(9)18-4/h5-7,16H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide?
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 65110006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).