nonadec-18-enamide

C19H37NO — CID 166991988

IUPACnonadec-18-enamide
SMILESC=CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-18H2,(H2,20,21)
InChIKeyLAZWIPKXOOCGKI-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.90
Rot. Bonds17

About nonadec-18-enamide

nonadec-18-enamide (PubChem CID 166991988) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is nonadec-18-enamide.

Molecular Properties

Compound Namenonadec-18-enamide
PubChem CID166991988
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Namenonadec-18-enamide
SMILESC=CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-18H2,(H2,20,21)
InChIKeyLAZWIPKXOOCGKI-UHFFFAOYSA-N
XLogP5.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonadec-18-enamide?
The IUPAC name of nonadec-18-enamide (CID 166991988) is nonadec-18-enamide.
What is the SMILES notation for nonadec-18-enamide?
The canonical SMILES for nonadec-18-enamide is C=CCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of nonadec-18-enamide?
The InChIKey is LAZWIPKXOOCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-18H2,(H2,20,21).
What are the key properties of nonadec-18-enamide?
nonadec-18-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.90, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-18-enamide is sourced from PubChem (CID 166991988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).