N,N-dioctylprop-2-enamide

C19H37NO — CID 22256207

IUPACN,N-dioctylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-11-13-15-17-20(19(21)6-3)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3
InChIKeyJRUSUOGPILMFBM-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.72
Rot. Bonds15

About N,N-dioctylprop-2-enamide

N,N-dioctylprop-2-enamide (PubChem CID 22256207) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-dioctylprop-2-enamide.

Molecular Properties

Compound NameN,N-dioctylprop-2-enamide
PubChem CID22256207
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,N-dioctylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-11-13-15-17-20(19(21)6-3)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3
InChIKeyJRUSUOGPILMFBM-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
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 N,N-dioctylprop-2-enamide?
The IUPAC name of N,N-dioctylprop-2-enamide (CID 22256207) is N,N-dioctylprop-2-enamide.
What is the SMILES notation for N,N-dioctylprop-2-enamide?
The canonical SMILES for N,N-dioctylprop-2-enamide is C=CC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N,N-dioctylprop-2-enamide?
The InChIKey is JRUSUOGPILMFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-7-9-11-13-15-17-20(19(21)6-3)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3.
What are the key properties of N,N-dioctylprop-2-enamide?
N,N-dioctylprop-2-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.72, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctylprop-2-enamide is sourced from PubChem (CID 22256207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).