N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide

C15H20N2O2 — CID 9072634

IUPACN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide
SMILESC[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-4-3-5-11(2)14(10)16-17-15(19)12-6-8-13(18)9-7-12/h6-11,18H,3-5H2,1-2H3,(H,17,19)/t10-,11-/m1/s1
InChIKeyGBRLBFCKYKWGEE-GHMZBOCLSA-N
MW260.34 g/mol
LogP2.93
Rot. Bonds2

About N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide

N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide (PubChem CID 9072634) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide
PubChem CID9072634
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide
SMILESC[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-4-3-5-11(2)14(10)16-17-15(19)12-6-8-13(18)9-7-12/h6-11,18H,3-5H2,1-2H3,(H,17,19)/t10-,11-/m1/s1
InChIKeyGBRLBFCKYKWGEE-GHMZBOCLSA-N
XLogP2.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide?
The IUPAC name of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide (CID 9072634) is N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide.
What is the SMILES notation for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide?
The canonical SMILES for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide is C[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide?
The InChIKey is GBRLBFCKYKWGEE-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-4-3-5-11(2)14(10)16-17-15(19)12-6-8-13(18)9-7-12/h6-11,18H,3-5H2,1-2H3,(H,17,19)/t10-,11-/m1/s1.
What are the key properties of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide?
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-4-hydroxybenzamide is sourced from PubChem (CID 9072634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).