N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide

C15H24N2O — CID 115161121

IUPACN-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CCC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)10-11-17(5)14(18)12-6-8-13(16-4)9-7-12/h6-9,16H,10-11H2,1-5H3
InChIKeyAYTYLABVPVZDSQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.24
Rot. Bonds4

About N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide

N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide (PubChem CID 115161121) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide
PubChem CID115161121
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CCC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)10-11-17(5)14(18)12-6-8-13(16-4)9-7-12/h6-9,16H,10-11H2,1-5H3
InChIKeyAYTYLABVPVZDSQ-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
N-methyl-4-(methylamino)-N-propan-2-ylbenzamide
CID 62166180
N-(2,2-dimethylpentyl)-4-(methylamino)benzamide
CID 115161129
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylamino)benzamide
CID 103191131
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
CID 62175742
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
CID 135270980

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide (CID 115161121) is N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)N(C)CCC(C)(C)C)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide?
The InChIKey is AYTYLABVPVZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)10-11-17(5)14(18)12-6-8-13(16-4)9-7-12/h6-9,16H,10-11H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide?
N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide has a molecular weight of 248.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 115161121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).