(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide

C20H39NO2 — CID 122629927

IUPAC(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide
SMILESCCCCCC(C)C(O)C/C=C\CCCCCCCC(=O)NC
InChIInChI=1S/C20H39NO2/c1-4-5-12-15-18(2)19(22)16-13-10-8-6-7-9-11-14-17-20(23)21-3/h10,13,18-19,22H,4-9,11-12,14-17H2,1-3H3,(H,21,23)/b13-10-
InChIKeyGJUUGVJEGOPFBN-RAXLEYEMSA-N
MW325.54 g/mol
LogP4.99
Rot. Bonds15

About (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide

(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide (PubChem CID 122629927) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide
PubChem CID122629927
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide
SMILESCCCCCC(C)C(O)C/C=C\CCCCCCCC(=O)NC
InChIInChI=1S/C20H39NO2/c1-4-5-12-15-18(2)19(22)16-13-10-8-6-7-9-11-14-17-20(23)21-3/h10,13,18-19,22H,4-9,11-12,14-17H2,1-3H3,(H,21,23)/b13-10-
InChIKeyGJUUGVJEGOPFBN-RAXLEYEMSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
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)-12-hydroxy-N,13-dimethyloctadec-9-enamide?
The IUPAC name of (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide (CID 122629927) is (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide.
What is the SMILES notation for (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide?
The canonical SMILES for (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide is CCCCCC(C)C(O)C/C=C\CCCCCCCC(=O)NC.
What is the InChIKey of (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide?
The InChIKey is GJUUGVJEGOPFBN-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-12-15-18(2)19(22)16-13-10-8-6-7-9-11-14-17-20(23)21-3/h10,13,18-19,22H,4-9,11-12,14-17H2,1-3H3,(H,21,23)/b13-10-.
What are the key properties of (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide?
(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 4.99, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide is sourced from PubChem (CID 122629927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).