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

C20H39NO2 — CID 87189314

IUPAC(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO2/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(23)21(2)3/h11,14,19,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t19-/m1/s1
InChIKeyBKJHWAWYJHTUJU-KWRJMZDGSA-N
MW325.54 g/mol
LogP5.08
Rot. Bonds15

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

(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide (PubChem CID 87189314) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide.

Molecular Properties

Compound Name(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
PubChem CID87189314
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO2/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(23)21(2)3/h11,14,19,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t19-/m1/s1
InChIKeyBKJHWAWYJHTUJU-KWRJMZDGSA-N
XLogP5.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.08
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,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide?
The IUPAC name of (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide (CID 87189314) is (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide.
What is the SMILES notation for (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide?
The canonical SMILES for (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N(C)C.
What is the InChIKey of (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide?
The InChIKey is BKJHWAWYJHTUJU-KWRJMZDGSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(23)21(2)3/h11,14,19,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t19-/m1/s1.
What are the key properties of (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide?
(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.08, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide is sourced from PubChem (CID 87189314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).