(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide

C25H49NO2 — CID 88819198

IUPAC(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CCCOCC
InChIInChI=1S/C25H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)26(5-2)23-21-24-28-6-3/h13-14H,4-12,15-24H2,1-3H3/b14-13-
InChIKeyWYCUMTOVEVQJJW-YPKPFQOOSA-N
MW395.67 g/mol
LogP7.30
Rot. Bonds21

About (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide

(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide (PubChem CID 88819198) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide
PubChem CID88819198
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CCCOCC
InChIInChI=1S/C25H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)26(5-2)23-21-24-28-6-3/h13-14H,4-12,15-24H2,1-3H3/b14-13-
InChIKeyWYCUMTOVEVQJJW-YPKPFQOOSA-N
XLogP7.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide?
The IUPAC name of (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide (CID 88819198) is (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide?
The canonical SMILES for (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CCCOCC.
What is the InChIKey of (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide?
The InChIKey is WYCUMTOVEVQJJW-YPKPFQOOSA-N. The full InChI is InChI=1S/C25H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)26(5-2)23-21-24-28-6-3/h13-14H,4-12,15-24H2,1-3H3/b14-13-.
What are the key properties of (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide?
(Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide has a molecular weight of 395.67 g/mol, XLogP of 7.30, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-ethoxypropyl)-N-ethyloctadec-9-enamide is sourced from PubChem (CID 88819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).