(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide

C16H23NO2 — CID 898709

IUPAC(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCCCC2)o1
InChIInChI=1S/C16H23NO2/c1-13-9-10-15(19-13)11-12-16(18)17-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,18)/b12-11+
InChIKeyDVJAWJPFGBKOCS-VAWYXSNFSA-N
MW261.37 g/mol
LogP3.83
Rot. Bonds3

About (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 898709) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID898709
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCCCC2)o1
InChIInChI=1S/C16H23NO2/c1-13-9-10-15(19-13)11-12-16(18)17-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,18)/b12-11+
InChIKeyDVJAWJPFGBKOCS-VAWYXSNFSA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide 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 (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 898709) is (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCCCCCC2)o1.
What is the InChIKey of (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is DVJAWJPFGBKOCS-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-9-10-15(19-13)11-12-16(18)17-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclooctyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 898709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).