N-octadec-9-enyl-N-tridecylformamide

C32H63NO — CID 54293701

IUPACN-octadec-9-enyl-N-tridecylformamide
SMILESCCCCCCCCC=CCCCCCCCCN(C=O)CCCCCCCCCCCCC
InChIInChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-33(32-34)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,32H,3-15,18-31H2,1-2H3
InChIKeyRZHJWRNZQBHXMN-UHFFFAOYSA-N
MW477.86 g/mol
LogP10.79
Rot. Bonds29

About N-octadec-9-enyl-N-tridecylformamide

N-octadec-9-enyl-N-tridecylformamide (PubChem CID 54293701) has the molecular formula C32H63NO and a molecular weight of 477.86 g/mol. Its IUPAC name is N-octadec-9-enyl-N-tridecylformamide.

Molecular Properties

Compound NameN-octadec-9-enyl-N-tridecylformamide
PubChem CID54293701
Molecular FormulaC32H63NO
Molecular Weight477.86 g/mol
Exact Mass477.49
IUPAC NameN-octadec-9-enyl-N-tridecylformamide
SMILESCCCCCCCCC=CCCCCCCCCN(C=O)CCCCCCCCCCCCC
InChIInChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-33(32-34)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,32H,3-15,18-31H2,1-2H3
InChIKeyRZHJWRNZQBHXMN-UHFFFAOYSA-N
XLogP10.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.86
LogP ≤ 510.79
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N-octadec-9-enyl-N-tridecylformamide?
The IUPAC name of N-octadec-9-enyl-N-tridecylformamide (CID 54293701) is N-octadec-9-enyl-N-tridecylformamide.
What is the SMILES notation for N-octadec-9-enyl-N-tridecylformamide?
The canonical SMILES for N-octadec-9-enyl-N-tridecylformamide is CCCCCCCCC=CCCCCCCCCN(C=O)CCCCCCCCCCCCC.
What is the InChIKey of N-octadec-9-enyl-N-tridecylformamide?
The InChIKey is RZHJWRNZQBHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-33(32-34)30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17,32H,3-15,18-31H2,1-2H3.
What are the key properties of N-octadec-9-enyl-N-tridecylformamide?
N-octadec-9-enyl-N-tridecylformamide has a molecular weight of 477.86 g/mol, XLogP of 10.79, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enyl-N-tridecylformamide is sourced from PubChem (CID 54293701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).