2-methyl-N,N-dioctylprop-2-enamide

C20H39NO — CID 22177298

IUPAC2-methyl-N,N-dioctylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C20H39NO/c1-5-7-9-11-13-15-17-21(20(22)19(3)4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3
InChIKeyZJUCEZKOOKQHKH-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.11
Rot. Bonds15

About 2-methyl-N,N-dioctylprop-2-enamide

2-methyl-N,N-dioctylprop-2-enamide (PubChem CID 22177298) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-methyl-N,N-dioctylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-dioctylprop-2-enamide
PubChem CID22177298
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-methyl-N,N-dioctylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C20H39NO/c1-5-7-9-11-13-15-17-21(20(22)19(3)4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3
InChIKeyZJUCEZKOOKQHKH-UHFFFAOYSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.11
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 2-methyl-N,N-dioctylprop-2-enamide?
The IUPAC name of 2-methyl-N,N-dioctylprop-2-enamide (CID 22177298) is 2-methyl-N,N-dioctylprop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-dioctylprop-2-enamide?
The canonical SMILES for 2-methyl-N,N-dioctylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-methyl-N,N-dioctylprop-2-enamide?
The InChIKey is ZJUCEZKOOKQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-5-7-9-11-13-15-17-21(20(22)19(3)4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3.
What are the key properties of 2-methyl-N,N-dioctylprop-2-enamide?
2-methyl-N,N-dioctylprop-2-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-dioctylprop-2-enamide is sourced from PubChem (CID 22177298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).