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

C22H43NO2 — CID 174990440

IUPAC(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O
InChIInChI=1S/C22H43NO2/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/b13-12-
InChIKeyMEEOTLRWFHNVMY-SEYXRHQNSA-N
MW353.59 g/mol
LogP5.72
Rot. Bonds16

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

(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide (PubChem CID 174990440) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide
PubChem CID174990440
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O
InChIInChI=1S/C22H43NO2/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/b13-12-
InChIKeyMEEOTLRWFHNVMY-SEYXRHQNSA-N
XLogP5.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.72
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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Related Compounds

N,N-dimethyl ricinoleamide
CID 87189314
1,2-Dilinoleyloxy-3-dimethyl-amino-propane
CID 155727045
N,N-di-methyl-3-hydroxy-2-hexyl-4-pentenamide
CID 14815151
erythro-N,N-dimethyl-3-hydroxy-2-methyl-2-hexyl-4-pentenamide
CID 14815154
4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide
CID 73001274
(12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
CID 53686728
7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
CID 67656754
7-[(1S,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
CID 67789159
7-[(1S,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
CID 70116093
(Z)-N,2,2-tris(hydroxymethyl)-N-methyloctadec-9-enamide
CID 87584140
(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide
CID 87786520
(Z)-2-(1-hydroxyethyl)octadec-9-enamide
CID 88764742

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide?
The IUPAC name of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide (CID 174990440) is (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(C(=O)N(C)C)C(C)O.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide?
The InChIKey is MEEOTLRWFHNVMY-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H43NO2/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/b13-12-.
What are the key properties of (Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide?
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide has a molecular weight of 353.59 g/mol, XLogP of 5.72, 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 is sourced from PubChem (CID 174990440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).