2-(2-methylpropyl)dec-2-enamide

C14H27NO — CID 163195725

IUPAC2-(2-methylpropyl)dec-2-enamide
SMILESCCCCCCCC=C(CC(C)C)C(N)=O
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13(14(15)16)11-12(2)3/h10,12H,4-9,11H2,1-3H3,(H2,15,16)
InChIKeyPBLMLBGCPHZQEA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.80
Rot. Bonds9

About 2-(2-methylpropyl)dec-2-enamide

2-(2-methylpropyl)dec-2-enamide (PubChem CID 163195725) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)dec-2-enamide.

Molecular Properties

Compound Name2-(2-methylpropyl)dec-2-enamide
PubChem CID163195725
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(2-methylpropyl)dec-2-enamide
SMILESCCCCCCCC=C(CC(C)C)C(N)=O
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13(14(15)16)11-12(2)3/h10,12H,4-9,11H2,1-3H3,(H2,15,16)
InChIKeyPBLMLBGCPHZQEA-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)dec-2-enamide?
The IUPAC name of 2-(2-methylpropyl)dec-2-enamide (CID 163195725) is 2-(2-methylpropyl)dec-2-enamide.
What is the SMILES notation for 2-(2-methylpropyl)dec-2-enamide?
The canonical SMILES for 2-(2-methylpropyl)dec-2-enamide is CCCCCCCC=C(CC(C)C)C(N)=O.
What is the InChIKey of 2-(2-methylpropyl)dec-2-enamide?
The InChIKey is PBLMLBGCPHZQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13(14(15)16)11-12(2)3/h10,12H,4-9,11H2,1-3H3,(H2,15,16).
What are the key properties of 2-(2-methylpropyl)dec-2-enamide?
2-(2-methylpropyl)dec-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)dec-2-enamide is sourced from PubChem (CID 163195725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).