N-(2-methylprop-2-enyl)octanamide

C12H23NO — CID 89028879

IUPACN-(2-methylprop-2-enyl)octanamide
SMILESC=C(C)CNC(=O)CCCCCCC
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h2,4-10H2,1,3H3,(H,13,14)
InChIKeyRPDGRFNHPPRPQB-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds8

About N-(2-methylprop-2-enyl)octanamide

N-(2-methylprop-2-enyl)octanamide (PubChem CID 89028879) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)octanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)octanamide
PubChem CID89028879
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methylprop-2-enyl)octanamide
SMILESC=C(C)CNC(=O)CCCCCCC
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h2,4-10H2,1,3H3,(H,13,14)
InChIKeyRPDGRFNHPPRPQB-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)octanamide?
The IUPAC name of N-(2-methylprop-2-enyl)octanamide (CID 89028879) is N-(2-methylprop-2-enyl)octanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)octanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)octanamide is C=C(C)CNC(=O)CCCCCCC.
What is the InChIKey of N-(2-methylprop-2-enyl)octanamide?
The InChIKey is RPDGRFNHPPRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h2,4-10H2,1,3H3,(H,13,14).
What are the key properties of N-(2-methylprop-2-enyl)octanamide?
N-(2-methylprop-2-enyl)octanamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)octanamide is sourced from PubChem (CID 89028879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).