[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol

C20H25NO2 — CID 144632144

IUPAC[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol
SMILESOC(NCc1cccc2ccccc12)OC1/C=C\CCCCC1
InChIInChI=1S/C20H25NO2/c22-20(23-18-12-4-2-1-3-5-13-18)21-15-17-11-8-10-16-9-6-7-14-19(16)17/h4,6-12,14,18,20-22H,1-3,5,13,15H2/b12-4-
InChIKeyNSMKGTPRTCKKPJ-QCDXTXTGSA-N
MW311.43 g/mol
LogP4.11
Rot. Bonds5

About [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol

[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol (PubChem CID 144632144) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol.

Molecular Properties

Compound Name[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol
PubChem CID144632144
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol
SMILESOC(NCc1cccc2ccccc12)OC1/C=C\CCCCC1
InChIInChI=1S/C20H25NO2/c22-20(23-18-12-4-2-1-3-5-13-18)21-15-17-11-8-10-16-9-6-7-14-19(16)17/h4,6-12,14,18,20-22H,1-3,5,13,15H2/b12-4-
InChIKeyNSMKGTPRTCKKPJ-QCDXTXTGSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol 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 [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol?
The IUPAC name of [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol (CID 144632144) is [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol.
What is the SMILES notation for [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol?
The canonical SMILES for [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol is OC(NCc1cccc2ccccc12)OC1/C=C\CCCCC1.
What is the InChIKey of [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol?
The InChIKey is NSMKGTPRTCKKPJ-QCDXTXTGSA-N. The full InChI is InChI=1S/C20H25NO2/c22-20(23-18-12-4-2-1-3-5-13-18)21-15-17-11-8-10-16-9-6-7-14-19(16)17/h4,6-12,14,18,20-22H,1-3,5,13,15H2/b12-4-.
What are the key properties of [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol?
[(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol has a molecular weight of 311.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-cyclooct-2-en-1-yl]oxy-(naphthalen-1-ylmethylamino)methanol is sourced from PubChem (CID 144632144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).