3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide

C16H24N2O2 — CID 83000173

IUPAC3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
SMILESCCC1CCCC(Oc2ccc(C(=O)NC)cc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18-2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyCSTNHJMNUIVIFK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide

3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide (PubChem CID 83000173) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
PubChem CID83000173
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
SMILESCCC1CCCC(Oc2ccc(C(=O)NC)cc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18-2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyCSTNHJMNUIVIFK-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
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

ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
CID 61305813
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437
3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
CID 64747811
ethyl 3-amino-4-(4,4-dimethylcyclohexyl)oxybenzoate
CID 114341717

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide (CID 83000173) is 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide is CCC1CCCC(Oc2ccc(C(=O)NC)cc2N)C1.
What is the InChIKey of 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide?
The InChIKey is CSTNHJMNUIVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18-2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide?
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide is sourced from PubChem (CID 83000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).