4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide

C16H24N2O2 — CID 63356624

IUPAC4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
SMILESCC1CC(Oc2cc(C(N)=O)ccc2N)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-11(15(18)19)4-5-13(14)17/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H2,18,19)
InChIKeyQGJPKNMAMWWEGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds3

About 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide

4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide (PubChem CID 63356624) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide.

Molecular Properties

Compound Name4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
PubChem CID63356624
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
SMILESCC1CC(Oc2cc(C(N)=O)ccc2N)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-11(15(18)19)4-5-13(14)17/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H2,18,19)
InChIKeyQGJPKNMAMWWEGP-UHFFFAOYSA-N
XLogP2.96
TPSA78.34 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 ≤ 52.96
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 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide?
The IUPAC name of 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide (CID 63356624) is 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide.
What is the SMILES notation for 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide?
The canonical SMILES for 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide is CC1CC(Oc2cc(C(N)=O)ccc2N)CC(C)(C)C1.
What is the InChIKey of 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide?
The InChIKey is QGJPKNMAMWWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-11(15(18)19)4-5-13(14)17/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H2,18,19).
What are the key properties of 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide?
4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide is sourced from PubChem (CID 63356624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).