N-[(Z)-octacos-19-en-11-yl]formamide

C29H57NO — CID 87790504

IUPACN-[(Z)-octacos-19-en-11-yl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCC)NC=O
InChIInChI=1S/C29H57NO/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29(30-28-31)26-24-22-20-12-10-8-6-4-2/h15-16,28-29H,3-14,17-27H2,1-2H3,(H,30,31)/b16-15-
InChIKeyRUBFFDCWCRHYLX-NXVVXOECSA-N
MW435.78 g/mol
LogP9.67
Rot. Bonds26

About N-[(Z)-octacos-19-en-11-yl]formamide

N-[(Z)-octacos-19-en-11-yl]formamide (PubChem CID 87790504) has the molecular formula C29H57NO and a molecular weight of 435.78 g/mol. Its IUPAC name is N-[(Z)-octacos-19-en-11-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-octacos-19-en-11-yl]formamide
PubChem CID87790504
Molecular FormulaC29H57NO
Molecular Weight435.78 g/mol
Exact Mass435.44
IUPAC NameN-[(Z)-octacos-19-en-11-yl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCC)NC=O
InChIInChI=1S/C29H57NO/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29(30-28-31)26-24-22-20-12-10-8-6-4-2/h15-16,28-29H,3-14,17-27H2,1-2H3,(H,30,31)/b16-15-
InChIKeyRUBFFDCWCRHYLX-NXVVXOECSA-N
XLogP9.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.78
LogP ≤ 59.67
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-octacos-19-en-11-yl]formamide?
The IUPAC name of N-[(Z)-octacos-19-en-11-yl]formamide (CID 87790504) is N-[(Z)-octacos-19-en-11-yl]formamide.
What is the SMILES notation for N-[(Z)-octacos-19-en-11-yl]formamide?
The canonical SMILES for N-[(Z)-octacos-19-en-11-yl]formamide is CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCC)NC=O.
What is the InChIKey of N-[(Z)-octacos-19-en-11-yl]formamide?
The InChIKey is RUBFFDCWCRHYLX-NXVVXOECSA-N. The full InChI is InChI=1S/C29H57NO/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29(30-28-31)26-24-22-20-12-10-8-6-4-2/h15-16,28-29H,3-14,17-27H2,1-2H3,(H,30,31)/b16-15-.
What are the key properties of N-[(Z)-octacos-19-en-11-yl]formamide?
N-[(Z)-octacos-19-en-11-yl]formamide has a molecular weight of 435.78 g/mol, XLogP of 9.67, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octacos-19-en-11-yl]formamide is sourced from PubChem (CID 87790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).