N-(cyanomethyl)-N-tetradecylprop-2-enamide

C19H34N2O — CID 167312180

IUPACN-(cyanomethyl)-N-tetradecylprop-2-enamide
SMILESC=CC(=O)N(CC#N)CCCCCCCCCCCCCC
InChIInChI=1S/C19H34N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21(18-16-20)19(22)4-2/h4H,2-3,5-15,17-18H2,1H3
InChIKeyRIIUZCPEMOKUSJ-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.23
Rot. Bonds15

About N-(cyanomethyl)-N-tetradecylprop-2-enamide

N-(cyanomethyl)-N-tetradecylprop-2-enamide (PubChem CID 167312180) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-(cyanomethyl)-N-tetradecylprop-2-enamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-tetradecylprop-2-enamide
PubChem CID167312180
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-(cyanomethyl)-N-tetradecylprop-2-enamide
SMILESC=CC(=O)N(CC#N)CCCCCCCCCCCCCC
InChIInChI=1S/C19H34N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21(18-16-20)19(22)4-2/h4H,2-3,5-15,17-18H2,1H3
InChIKeyRIIUZCPEMOKUSJ-UHFFFAOYSA-N
XLogP5.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', '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-(cyanomethyl)-N-tetradecylprop-2-enamide?
The IUPAC name of N-(cyanomethyl)-N-tetradecylprop-2-enamide (CID 167312180) is N-(cyanomethyl)-N-tetradecylprop-2-enamide.
What is the SMILES notation for N-(cyanomethyl)-N-tetradecylprop-2-enamide?
The canonical SMILES for N-(cyanomethyl)-N-tetradecylprop-2-enamide is C=CC(=O)N(CC#N)CCCCCCCCCCCCCC.
What is the InChIKey of N-(cyanomethyl)-N-tetradecylprop-2-enamide?
The InChIKey is RIIUZCPEMOKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21(18-16-20)19(22)4-2/h4H,2-3,5-15,17-18H2,1H3.
What are the key properties of N-(cyanomethyl)-N-tetradecylprop-2-enamide?
N-(cyanomethyl)-N-tetradecylprop-2-enamide has a molecular weight of 306.49 g/mol, XLogP of 5.23, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-tetradecylprop-2-enamide is sourced from PubChem (CID 167312180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).