N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide

C13H19NO3 — CID 66168188

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-10(2)11(6-9)12(16)14-7-13(3,17)8-15/h4-6,15,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyPZPFBNCLJSYFJZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.78
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide

N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide (PubChem CID 66168188) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
PubChem CID66168188
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-10(2)11(6-9)12(16)14-7-13(3,17)8-15/h4-6,15,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyPZPFBNCLJSYFJZ-UHFFFAOYSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107033291
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773569
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide (CID 66168188) is N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(C)(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide?
The InChIKey is PZPFBNCLJSYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-10(2)11(6-9)12(16)14-7-13(3,17)8-15/h4-6,15,17H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide?
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 66168188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).