2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide

C12H17NO3 — CID 109400562

IUPAC2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)NCC(C)O)c1
InChIInChI=1S/C12H17NO3/c1-7-4-8(2)11(15)10(5-7)12(16)13-6-9(3)14/h4-5,9,14-15H,6H2,1-3H3,(H,13,16)
InChIKeyQZPLGWWICDYBRM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.12
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide

2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide (PubChem CID 109400562) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
PubChem CID109400562
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)NCC(C)O)c1
InChIInChI=1S/C12H17NO3/c1-7-4-8(2)11(15)10(5-7)12(16)13-6-9(3)14/h4-5,9,14-15H,6H2,1-3H3,(H,13,16)
InChIKeyQZPLGWWICDYBRM-UHFFFAOYSA-N
XLogP1.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
CID 97067577
3-tert-butyl-N-[(2S)-2-[(3-tert-butyl-2-hydroxy-5-methylbenzoyl)amino]propyl]-2-hydroxy-5-methylbenzamide
CID 140974902
2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide
CID 69132143
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 130678662

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide (CID 109400562) is 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide is Cc1cc(C)c(O)c(C(=O)NCC(C)O)c1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide?
The InChIKey is QZPLGWWICDYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-4-8(2)11(15)10(5-7)12(16)13-6-9(3)14/h4-5,9,14-15H,6H2,1-3H3,(H,13,16).
What are the key properties of 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide?
2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 109400562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).