N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide

C12H17NO2 — CID 103820772

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C12H17NO2/c1-8-5-4-6-9(2)11(8)12(15)13-10(3)7-14/h4-6,10,14H,7H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyQEHRLHJGRKJCRW-JTQLQIEISA-N
MW207.27 g/mol
LogP1.41
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide

N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide (PubChem CID 103820772) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
PubChem CID103820772
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C12H17NO2/c1-8-5-4-6-9(2)11(8)12(15)13-10(3)7-14/h4-6,10,14H,7H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyQEHRLHJGRKJCRW-JTQLQIEISA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 130618692
N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110015228
N-(1-chloropropan-2-yl)-2,6-dimethylbenzamide;ethane;triiodovanadium
CID 159563053
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide (CID 103820772) is N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)N[C@@H](C)CO.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide?
The InChIKey is QEHRLHJGRKJCRW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-4-6-9(2)11(8)12(15)13-10(3)7-14/h4-6,10,14H,7H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide?
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide is sourced from PubChem (CID 103820772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).