2-amino-3-(3-methylcyclohexyl)oxybenzamide

C14H20N2O2 — CID 115547097

IUPAC2-amino-3-(3-methylcyclohexyl)oxybenzamide
SMILESCC1CCCC(Oc2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(13(12)15)14(16)17/h3,6-7,9-10H,2,4-5,8,15H2,1H3,(H2,16,17)
InChIKeyHXUYVSBDEOVHSC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-3-(3-methylcyclohexyl)oxybenzamide

2-amino-3-(3-methylcyclohexyl)oxybenzamide (PubChem CID 115547097) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-(3-methylcyclohexyl)oxybenzamide.

Molecular Properties

Compound Name2-amino-3-(3-methylcyclohexyl)oxybenzamide
PubChem CID115547097
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-(3-methylcyclohexyl)oxybenzamide
SMILESCC1CCCC(Oc2cccc(C(N)=O)c2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(13(12)15)14(16)17/h3,6-7,9-10H,2,4-5,8,15H2,1H3,(H2,16,17)
InChIKeyHXUYVSBDEOVHSC-UHFFFAOYSA-N
XLogP2.33
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.33
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-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
(3-methylcyclohexyl) 2-amino-3-bromobenzoate
CID 55225158
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
3-amino-2-cyclopentyloxybenzamide
CID 112579558
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
5-(3-methylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 65455951

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylcyclohexyl)oxybenzamide?
The IUPAC name of 2-amino-3-(3-methylcyclohexyl)oxybenzamide (CID 115547097) is 2-amino-3-(3-methylcyclohexyl)oxybenzamide.
What is the SMILES notation for 2-amino-3-(3-methylcyclohexyl)oxybenzamide?
The canonical SMILES for 2-amino-3-(3-methylcyclohexyl)oxybenzamide is CC1CCCC(Oc2cccc(C(N)=O)c2N)C1.
What is the InChIKey of 2-amino-3-(3-methylcyclohexyl)oxybenzamide?
The InChIKey is HXUYVSBDEOVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(13(12)15)14(16)17/h3,6-7,9-10H,2,4-5,8,15H2,1H3,(H2,16,17).
What are the key properties of 2-amino-3-(3-methylcyclohexyl)oxybenzamide?
2-amino-3-(3-methylcyclohexyl)oxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.33, 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-methylcyclohexyl)oxybenzamide is sourced from PubChem (CID 115547097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).