3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide

C17H27N3O — CID 61466151

IUPAC3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(N(C)C)c(N)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-12-5-8-14(9-6-12)19-17(21)13-7-10-16(20(2)3)15(18)11-13/h7,10-12,14H,4-6,8-9,18H2,1-3H3,(H,19,21)
InChIKeyIQFCVGOALWUACE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide

3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide (PubChem CID 61466151) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
PubChem CID61466151
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(N(C)C)c(N)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-12-5-8-14(9-6-12)19-17(21)13-7-10-16(20(2)3)15(18)11-13/h7,10-12,14H,4-6,8-9,18H2,1-3H3,(H,19,21)
InChIKeyIQFCVGOALWUACE-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
CID 64747811
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
N-(4-ethylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112816440
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
N-(4-ethylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61470340
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide (CID 61466151) is 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide is CCC1CCC(NC(=O)c2ccc(N(C)C)c(N)c2)CC1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide?
The InChIKey is IQFCVGOALWUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-12-5-8-14(9-6-12)19-17(21)13-7-10-16(20(2)3)15(18)11-13/h7,10-12,14H,4-6,8-9,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide?
3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide is sourced from PubChem (CID 61466151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).