N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide

C14H21NO2 — CID 65031669

IUPACN-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(C)CO)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9-5-11(3)13(12(4)6-9)14(17)15-7-10(2)8-16/h5-6,10,16H,7-8H2,1-4H3,(H,15,17)
InChIKeyLJFVBNJCFSPLAR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide

N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide (PubChem CID 65031669) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
PubChem CID65031669
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(C)CO)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9-5-11(3)13(12(4)6-9)14(17)15-7-10(2)8-16/h5-6,10,16H,7-8H2,1-4H3,(H,15,17)
InChIKeyLJFVBNJCFSPLAR-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2,4,6-trimethylbenzamide
CID 103867078
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide
CID 141127480
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
2,3,4,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 123912379
N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide (CID 65031669) is N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC(C)CO)c(C)c1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide?
The InChIKey is LJFVBNJCFSPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-11(3)13(12(4)6-9)14(17)15-7-10(2)8-16/h5-6,10,16H,7-8H2,1-4H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide?
N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 65031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).