N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide

C16H25NO2 — CID 70955110

IUPACN-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(COC)cc1C
InChIInChI=1S/C16H25NO2/c1-6-16(3,4)11-17-15(18)14-8-7-13(10-19-5)9-12(14)2/h7-9H,6,10-11H2,1-5H3,(H,17,18)
InChIKeyJNPVJRYVMBNDSQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds6

About N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide

N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide (PubChem CID 70955110) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide
PubChem CID70955110
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(COC)cc1C
InChIInChI=1S/C16H25NO2/c1-6-16(3,4)11-17-15(18)14-8-7-13(10-19-5)9-12(14)2/h7-9H,6,10-11H2,1-5H3,(H,17,18)
InChIKeyJNPVJRYVMBNDSQ-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide (CID 70955110) is N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide is CCC(C)(C)CNC(=O)c1ccc(COC)cc1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide?
The InChIKey is JNPVJRYVMBNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-16(3,4)11-17-15(18)14-8-7-13(10-19-5)9-12(14)2/h7-9H,6,10-11H2,1-5H3,(H,17,18).
What are the key properties of N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide?
N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-(methoxymethyl)-2-methylbenzamide is sourced from PubChem (CID 70955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).