3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide

C13H19NO3 — CID 113475336

IUPAC3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C(C)(C)CO
InChIInChI=1S/C13H19NO3/c1-9-10(6-5-7-11(9)16)12(17)14(4)13(2,3)8-15/h5-7,15-16H,8H2,1-4H3
InChIKeyDKZDAWJBIGAOQO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds3

About 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide

3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide (PubChem CID 113475336) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
PubChem CID113475336
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C(C)(C)CO
InChIInChI=1S/C13H19NO3/c1-9-10(6-5-7-11(9)16)12(17)14(4)13(2,3)8-15/h5-7,15-16H,8H2,1-4H3
InChIKeyDKZDAWJBIGAOQO-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
N-(1-bromo-2-methylpropan-2-yl)-3-chloro-N,2-dimethylbenzamide
CID 107100236
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
CID 113476040
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
CID 105071219
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide (CID 113475336) is 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)C(C)(C)CO.
What is the InChIKey of 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide?
The InChIKey is DKZDAWJBIGAOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-10(6-5-7-11(9)16)12(17)14(4)13(2,3)8-15/h5-7,15-16H,8H2,1-4H3.
What are the key properties of 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide?
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 113475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).