2-methyl-N-tetradecylprop-2-enamide

C18H35NO — CID 22327745

IUPAC2-methyl-N-tetradecylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17(2)3/h2,4-16H2,1,3H3,(H,19,20)
InChIKeyBPEZHABUVGDGNE-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.38
Rot. Bonds14

About 2-methyl-N-tetradecylprop-2-enamide

2-methyl-N-tetradecylprop-2-enamide (PubChem CID 22327745) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-methyl-N-tetradecylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-tetradecylprop-2-enamide
PubChem CID22327745
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-methyl-N-tetradecylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17(2)3/h2,4-16H2,1,3H3,(H,19,20)
InChIKeyBPEZHABUVGDGNE-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.38
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-methyl-N-tetradecylprop-2-enamide?
The IUPAC name of 2-methyl-N-tetradecylprop-2-enamide (CID 22327745) is 2-methyl-N-tetradecylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-tetradecylprop-2-enamide?
The canonical SMILES for 2-methyl-N-tetradecylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-tetradecylprop-2-enamide?
The InChIKey is BPEZHABUVGDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(20)17(2)3/h2,4-16H2,1,3H3,(H,19,20).
What are the key properties of 2-methyl-N-tetradecylprop-2-enamide?
2-methyl-N-tetradecylprop-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-tetradecylprop-2-enamide is sourced from PubChem (CID 22327745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).