N-methoxyicos-4-enamide

C21H41NO2 — CID 173091875

IUPACN-methoxyicos-4-enamide
SMILESCCCCCCCCCCCCCCCC=CCCC(=O)NOC
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-24-2/h17-18H,3-16,19-20H2,1-2H3,(H,22,23)
InChIKeyUKYMREZTUXLCPD-UHFFFAOYSA-N
MW339.56 g/mol
LogP6.48
Rot. Bonds18

About N-methoxyicos-4-enamide

N-methoxyicos-4-enamide (PubChem CID 173091875) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-methoxyicos-4-enamide.

Molecular Properties

Compound NameN-methoxyicos-4-enamide
PubChem CID173091875
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-methoxyicos-4-enamide
SMILESCCCCCCCCCCCCCCCC=CCCC(=O)NOC
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-24-2/h17-18H,3-16,19-20H2,1-2H3,(H,22,23)
InChIKeyUKYMREZTUXLCPD-UHFFFAOYSA-N
XLogP6.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyldec-4-enamide
CID 151338477
(octadecanoylamino) (Z)-octadec-9-enoate
CID 88515409
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
(E)-octadec-9-enehydrazide
CID 6281873
methyl (Z)-octadec-9-enoate
CID 5364509
methyl dodec-5-enoate
CID 86010951
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
(octadec-9-enoylamino) dihydrogen phosphate
CID 173324708
ethyl (E)-tridec-4-enoate
CID 10944557

Frequently Asked Questions

What is the IUPAC name of N-methoxyicos-4-enamide?
The IUPAC name of N-methoxyicos-4-enamide (CID 173091875) is N-methoxyicos-4-enamide.
What is the SMILES notation for N-methoxyicos-4-enamide?
The canonical SMILES for N-methoxyicos-4-enamide is CCCCCCCCCCCCCCCC=CCCC(=O)NOC.
What is the InChIKey of N-methoxyicos-4-enamide?
The InChIKey is UKYMREZTUXLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-24-2/h17-18H,3-16,19-20H2,1-2H3,(H,22,23).
What are the key properties of N-methoxyicos-4-enamide?
N-methoxyicos-4-enamide has a molecular weight of 339.56 g/mol, XLogP of 6.48, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyicos-4-enamide is sourced from PubChem (CID 173091875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).