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

C17H27N3O — CID 64747811

IUPAC3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-4-12-6-5-7-14(10-12)19-17(21)13-8-9-16(20(2)3)15(18)11-13/h8-9,11-12,14H,4-7,10,18H2,1-3H3,(H,19,21)
InChIKeyVJELSVGCFMNVAD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds4

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

3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide (PubChem CID 64747811) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
PubChem CID64747811
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C17H27N3O/c1-4-12-6-5-7-14(10-12)19-17(21)13-8-9-16(20(2)3)15(18)11-13/h8-9,11-12,14H,4-7,10,18H2,1-3H3,(H,19,21)
InChIKeyVJELSVGCFMNVAD-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-(4-ethylcyclohexyl)benzamide
CID 61466151
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-(aminomethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748016
2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349702
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide (CID 64747811) is 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide is CCC1CCCC(NC(=O)c2ccc(N(C)C)c(N)c2)C1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide?
The InChIKey is VJELSVGCFMNVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-12-6-5-7-14(10-12)19-17(21)13-8-9-16(20(2)3)15(18)11-13/h8-9,11-12,14H,4-7,10,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide?
3-amino-4-(dimethylamino)-N-(3-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-(3-ethylcyclohexyl)benzamide is sourced from PubChem (CID 64747811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).