N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide

C12H23NO2 — CID 104927504

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyDQZLGVWQAJZPFO-GHMZBOCLSA-N
MW213.32 g/mol
LogP1.99
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide

N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide (PubChem CID 104927504) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]hexanamide
PubChem CID104927504
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23NO2/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyDQZLGVWQAJZPFO-GHMZBOCLSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide (CID 104927504) is N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide is CCCCCC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide?
The InChIKey is DQZLGVWQAJZPFO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide has a molecular weight of 213.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]hexanamide is sourced from PubChem (CID 104927504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).