(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide

C21H41NO2 — CID 71719909

IUPAC(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCO
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(2)19-20-23/h10-11,23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyCZWLTVDAEFVSGP-KHPPLWFESA-N
MW339.56 g/mol
LogP5.47
Rot. Bonds17

About (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide

(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide (PubChem CID 71719909) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide
PubChem CID71719909
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCO
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(2)19-20-23/h10-11,23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyCZWLTVDAEFVSGP-KHPPLWFESA-N
XLogP5.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.47
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-hydroxyethyl)-N-methyloctadec-9-enamide?
The IUPAC name of (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide (CID 71719909) is (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide?
The canonical SMILES for (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCO.
What is the InChIKey of (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide?
The InChIKey is CZWLTVDAEFVSGP-KHPPLWFESA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(2)19-20-23/h10-11,23H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide?
(Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.47, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxyethyl)-N-methyloctadec-9-enamide is sourced from PubChem (CID 71719909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).