2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide

C15H22N2O2 — CID 113333363

IUPAC2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
SMILESCC1CCC(Oc2cccc(C(N)=O)c2N)CC1C
InChIInChI=1S/C15H22N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-5,9-11H,6-8,16H2,1-2H3,(H2,17,18)
InChIKeyJAGGWBKOFGBDAU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide

2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide (PubChem CID 113333363) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
PubChem CID113333363
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
SMILESCC1CCC(Oc2cccc(C(N)=O)c2N)CC1C
InChIInChI=1S/C15H22N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-5,9-11H,6-8,16H2,1-2H3,(H2,17,18)
InChIKeyJAGGWBKOFGBDAU-UHFFFAOYSA-N
XLogP2.57
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
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-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
CID 104835060
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
CID 107341742
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
2-amino-3-ethoxybenzamide
CID 70121071
4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
CID 64746879
2-amino-6-(3,4-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 83214917
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
2-(3,4-dimethylcyclohexyl)oxy-5-methylbenzenecarbothioamide
CID 107929610

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide?
The IUPAC name of 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide (CID 113333363) is 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide?
The canonical SMILES for 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide is CC1CCC(Oc2cccc(C(N)=O)c2N)CC1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide?
The InChIKey is JAGGWBKOFGBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-5,9-11H,6-8,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide?
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide is sourced from PubChem (CID 113333363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).