N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide

C17H27N3O — CID 115309240

IUPACN-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)15-10-6-9-14(11-15)17(21)19-16(12-18)13-7-4-3-5-8-13/h6,9-11,13,16H,3-5,7-8,12,18H2,1-2H3,(H,19,21)
InChIKeyXMGAVIUWQSIXTQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide

N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide (PubChem CID 115309240) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
PubChem CID115309240
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)15-10-6-9-14(11-15)17(21)19-16(12-18)13-7-4-3-5-8-13/h6,9-11,13,16H,3-5,7-8,12,18H2,1-2H3,(H,19,21)
InChIKeyXMGAVIUWQSIXTQ-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
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CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
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N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide (CID 115309240) is N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NC(CN)C2CCCCC2)c1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide?
The InChIKey is XMGAVIUWQSIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)15-10-6-9-14(11-15)17(21)19-16(12-18)13-7-4-3-5-8-13/h6,9-11,13,16H,3-5,7-8,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide?
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 115309240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).