N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide

C17H26N2O — CID 63213551

IUPACN-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C17H26N2O/c1-4-13-7-5-6-8-16(13)19-17(20)14-9-10-15(18-3)12(2)11-14/h9-11,13,16,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyLWEGTYZGGKNZMH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds4

About N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide

N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide (PubChem CID 63213551) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
PubChem CID63213551
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C17H26N2O/c1-4-13-7-5-6-8-16(13)19-17(20)14-9-10-15(18-3)12(2)11-14/h9-11,13,16,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyLWEGTYZGGKNZMH-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide (CID 63213551) is N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide is CCC1CCCCC1NC(=O)c1ccc(NC)c(C)c1.
What is the InChIKey of N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is LWEGTYZGGKNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-7-5-6-8-16(13)19-17(20)14-9-10-15(18-3)12(2)11-14/h9-11,13,16,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide?
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63213551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).