(Z)-N-(2-ethoxyethyl)octadec-9-enamide

C22H43NO2 — CID 54604140

IUPAC(Z)-N-(2-ethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCC
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-25-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,23,24)/b12-11-
InChIKeyDVYGATDUVWDCOI-QXMHVHEDSA-N
MW353.59 g/mol
LogP6.18
Rot. Bonds19

About (Z)-N-(2-ethoxyethyl)octadec-9-enamide

(Z)-N-(2-ethoxyethyl)octadec-9-enamide (PubChem CID 54604140) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is (Z)-N-(2-ethoxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-ethoxyethyl)octadec-9-enamide
PubChem CID54604140
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name(Z)-N-(2-ethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCC
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-25-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,23,24)/b12-11-
InChIKeyDVYGATDUVWDCOI-QXMHVHEDSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.18
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-ethoxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2-ethoxyethyl)octadec-9-enamide (CID 54604140) is (Z)-N-(2-ethoxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-ethoxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-ethoxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCC.
What is the InChIKey of (Z)-N-(2-ethoxyethyl)octadec-9-enamide?
The InChIKey is DVYGATDUVWDCOI-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-25-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,23,24)/b12-11-.
What are the key properties of (Z)-N-(2-ethoxyethyl)octadec-9-enamide?
(Z)-N-(2-ethoxyethyl)octadec-9-enamide has a molecular weight of 353.59 g/mol, XLogP of 6.18, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-ethoxyethyl)octadec-9-enamide is sourced from PubChem (CID 54604140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).