N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide

C14H21NO2 — CID 113258432

IUPACN-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C14H21NO2/c1-10-7-6-8-11(2)12(10)13(16)15(5)9-14(3,4)17/h6-8,17H,9H2,1-5H3
InChIKeyZZLVAOUJKGIAQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide

N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide (PubChem CID 113258432) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
PubChem CID113258432
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C14H21NO2/c1-10-7-6-8-11(2)12(10)13(16)15(5)9-14(3,4)17/h6-8,17H,9H2,1-5H3
InChIKeyZZLVAOUJKGIAQS-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429166
2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 103749107
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052
2-[2,2-dimethylpropyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429016
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide (CID 113258432) is N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide is Cc1cccc(C)c1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide?
The InChIKey is ZZLVAOUJKGIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-6-8-11(2)12(10)13(16)15(5)9-14(3,4)17/h6-8,17H,9H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide?
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide is sourced from PubChem (CID 113258432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).