N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide

C13H19NO2 — CID 103769304

IUPACN-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO2/c1-9-6-5-7-10(2)12(9)13(16)14(4)8-11(3)15/h5-7,11,15H,8H2,1-4H3
InChIKeyHNNMFTILKLOXBI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds3

About N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide

N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide (PubChem CID 103769304) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
PubChem CID103769304
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO2/c1-9-6-5-7-10(2)12(9)13(16)14(4)8-11(3)15/h5-7,11,15H,8H2,1-4H3
InChIKeyHNNMFTILKLOXBI-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide 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-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
CID 107028256
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
2-bromo-N-ethyl-N,6-dimethylbenzamide
CID 130664662
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide?
The IUPAC name of N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide (CID 103769304) is N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide is Cc1cccc(C)c1C(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide?
The InChIKey is HNNMFTILKLOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-5-7-10(2)12(9)13(16)14(4)8-11(3)15/h5-7,11,15H,8H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide?
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide is sourced from PubChem (CID 103769304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).