(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride

C22H44ClNO2 — CID 174990439

IUPAC(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O.Cl
InChIInChI=1S/C22H43NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)24)22(25)23(3)4;/h12-13,20-21,24H,5-11,14-19H2,1-4H3;1H/b13-12-;
InChIKeyZHIHHXPKRCWBBG-USGGBSEESA-N
MW390.05 g/mol
LogP6.14
Rot. Bonds16

About (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride

(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride (PubChem CID 174990439) has the molecular formula C22H44ClNO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
PubChem CID174990439
Molecular FormulaC22H44ClNO2
Molecular Weight390.05 g/mol
Exact Mass389.31
IUPAC Name(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O.Cl
InChIInChI=1S/C22H43NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)24)22(25)23(3)4;/h12-13,20-21,24H,5-11,14-19H2,1-4H3;1H/b13-12-;
InChIKeyZHIHHXPKRCWBBG-USGGBSEESA-N
XLogP6.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.05
LogP ≤ 56.14
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)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride?
The IUPAC name of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride (CID 174990439) is (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride is CCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O.Cl.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride?
The InChIKey is ZHIHHXPKRCWBBG-USGGBSEESA-N. The full InChI is InChI=1S/C22H43NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)24)22(25)23(3)4;/h12-13,20-21,24H,5-11,14-19H2,1-4H3;1H/b13-12-;.
What are the key properties of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride?
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride has a molecular weight of 390.05 g/mol, XLogP of 6.14, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride is sourced from PubChem (CID 174990439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).