N-octadec-9-enylformamide

C19H37NO — CID 54293222

IUPACN-octadec-9-enylformamide
SMILESCCCCCCCCC=CCCCCCCCCNC=O
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,19H,2-8,11-18H2,1H3,(H,20,21)
InChIKeyRYZJXYCCHHRFOC-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.77
Rot. Bonds17

About N-octadec-9-enylformamide

N-octadec-9-enylformamide (PubChem CID 54293222) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-octadec-9-enylformamide.

Molecular Properties

Compound NameN-octadec-9-enylformamide
PubChem CID54293222
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-octadec-9-enylformamide
SMILESCCCCCCCCC=CCCCCCCCCNC=O
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,19H,2-8,11-18H2,1H3,(H,20,21)
InChIKeyRYZJXYCCHHRFOC-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octadec-9-enylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-octadec-9-enylformamide?
The IUPAC name of N-octadec-9-enylformamide (CID 54293222) is N-octadec-9-enylformamide.
What is the SMILES notation for N-octadec-9-enylformamide?
The canonical SMILES for N-octadec-9-enylformamide is CCCCCCCCC=CCCCCCCCCNC=O.
What is the InChIKey of N-octadec-9-enylformamide?
The InChIKey is RYZJXYCCHHRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,19H,2-8,11-18H2,1H3,(H,20,21).
What are the key properties of N-octadec-9-enylformamide?
N-octadec-9-enylformamide has a molecular weight of 295.51 g/mol, XLogP of 5.77, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enylformamide is sourced from PubChem (CID 54293222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).