4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide

C16H24N2O2 — CID 64746879

IUPAC4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-4-6-13(8-11(10)2)20-15-9-12(17)5-7-14(15)16(19)18-3/h5,7,9-11,13H,4,6,8,17H2,1-3H3,(H,18,19)
InChIKeyOWAQHCJAZAXYMO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.83
Rot. Bonds3

About 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide

4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide (PubChem CID 64746879) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
PubChem CID64746879
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-4-6-13(8-11(10)2)20-15-9-12(17)5-7-14(15)16(19)18-3/h5,7,9-11,13H,4,6,8,17H2,1-3H3,(H,18,19)
InChIKeyOWAQHCJAZAXYMO-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.83
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

2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
2-(3,4-dimethylcyclohexyl)oxy-5-methylbenzenecarbothioamide
CID 107929610
4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
CID 102721635
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
4-amino-3-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64740775
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
CID 107341742
4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
CID 64730373
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide?
The IUPAC name of 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide (CID 64746879) is 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide?
The canonical SMILES for 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide is CNC(=O)c1ccc(N)cc1OC1CCC(C)C(C)C1.
What is the InChIKey of 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide?
The InChIKey is OWAQHCJAZAXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-4-6-13(8-11(10)2)20-15-9-12(17)5-7-14(15)16(19)18-3/h5,7,9-11,13H,4,6,8,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide?
4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide is sourced from PubChem (CID 64746879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).