(E)-N-(2-methylpropyl)oct-2-enamide

C12H23NO — CID 14188010

IUPAC(E)-N-(2-methylpropyl)oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+
InChIKeyXCQXXZNWAPMVBK-CMDGGOBGSA-N
MW197.32 g/mol
LogP2.90
Rot. Bonds7

About (E)-N-(2-methylpropyl)oct-2-enamide

(E)-N-(2-methylpropyl)oct-2-enamide (PubChem CID 14188010) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)oct-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)oct-2-enamide
PubChem CID14188010
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N-(2-methylpropyl)oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+
InChIKeyXCQXXZNWAPMVBK-CMDGGOBGSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methylpropyl)oct-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-(2-methylpropyl)oct-2-enamide?
The IUPAC name of (E)-N-(2-methylpropyl)oct-2-enamide (CID 14188010) is (E)-N-(2-methylpropyl)oct-2-enamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)oct-2-enamide?
The canonical SMILES for (E)-N-(2-methylpropyl)oct-2-enamide is CCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)oct-2-enamide?
The InChIKey is XCQXXZNWAPMVBK-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,13,14)/b9-8+.
What are the key properties of (E)-N-(2-methylpropyl)oct-2-enamide?
(E)-N-(2-methylpropyl)oct-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)oct-2-enamide is sourced from PubChem (CID 14188010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).