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

C15H22N2O2 — CID 114341723

IUPAC2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
SMILESCC1(C)CCC(Oc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-6-10(7-9-15)19-12-5-3-4-11(13(12)16)14(17)18/h3-5,10H,6-9,16H2,1-2H3,(H2,17,18)
InChIKeyWLFIUARAQVVOKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.72
Rot. Bonds3

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

2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide (PubChem CID 114341723) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide.

Molecular Properties

Compound Name2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
PubChem CID114341723
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
SMILESCC1(C)CCC(Oc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-6-10(7-9-15)19-12-5-3-4-11(13(12)16)14(17)18/h3-5,10H,6-9,16H2,1-2H3,(H2,17,18)
InChIKeyWLFIUARAQVVOKI-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide?
The IUPAC name of 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide (CID 114341723) is 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide.
What is the SMILES notation for 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide?
The canonical SMILES for 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide is CC1(C)CCC(Oc2cccc(C(N)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide?
The InChIKey is WLFIUARAQVVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)8-6-10(7-9-15)19-12-5-3-4-11(13(12)16)14(17)18/h3-5,10H,6-9,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide?
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide is sourced from PubChem (CID 114341723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).