N-methyl-N-tetradecylprop-2-enamide

C18H35NO — CID 21364879

IUPACN-methyl-N-tetradecylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(20)5-2/h5H,2,4,6-17H2,1,3H3
InChIKeyDKPPTQNTDCWLOW-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.33
Rot. Bonds14

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

N-methyl-N-tetradecylprop-2-enamide (PubChem CID 21364879) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-methyl-N-tetradecylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-tetradecylprop-2-enamide
PubChem CID21364879
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-methyl-N-tetradecylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(20)5-2/h5H,2,4,6-17H2,1,3H3
InChIKeyDKPPTQNTDCWLOW-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.33
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-methyl-N-tetradecylprop-2-enamide?
The IUPAC name of N-methyl-N-tetradecylprop-2-enamide (CID 21364879) is N-methyl-N-tetradecylprop-2-enamide.
What is the SMILES notation for N-methyl-N-tetradecylprop-2-enamide?
The canonical SMILES for N-methyl-N-tetradecylprop-2-enamide is C=CC(=O)N(C)CCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-tetradecylprop-2-enamide?
The InChIKey is DKPPTQNTDCWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(20)5-2/h5H,2,4,6-17H2,1,3H3.
What are the key properties of N-methyl-N-tetradecylprop-2-enamide?
N-methyl-N-tetradecylprop-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.33, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-tetradecylprop-2-enamide is sourced from PubChem (CID 21364879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).