(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide

C14H27NO2 — CID 88975041

IUPAC(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide
SMILESCN(C)C(=O)CCCCC/C=C\CCCCO
InChIInChI=1S/C14H27NO2/c1-15(2)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h3,5,16H,4,6-13H2,1-2H3/b5-3-
InChIKeyBCMGDOIYBGNYFV-HYXAFXHYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds10

About (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide

(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide (PubChem CID 88975041) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide.

Molecular Properties

Compound Name(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide
PubChem CID88975041
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide
SMILESCN(C)C(=O)CCCCC/C=C\CCCCO
InChIInChI=1S/C14H27NO2/c1-15(2)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h3,5,16H,4,6-13H2,1-2H3/b5-3-
InChIKeyBCMGDOIYBGNYFV-HYXAFXHYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
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
(9E,12E)-N,N-bis(1-hydroxyethyl)octadeca-9,12-dienamide
CID 23496740
(12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
CID 53686728
N,N-bis(hydroxymethyl)octadec-9-enamide
CID 54088713
N,N-bis(hydroxymethyl)octadeca-9,12-dienamide
CID 54417976
N,N-bis(3-hydroxypropyl)docos-13-enamide
CID 85571852
(Z)-N,N-bis(3-hydroxypropyl)docos-13-enamide
CID 87200051
(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide;(Z,12R)-12-hydroxy-N,N-dimethyloctadec-9-enamide
CID 88242783
(9Z,12Z)-N,N-bis(hydroxymethyl)octadeca-9,12-dienamide
CID 88769815
(Z)-N,N-bis(hydroxymethyl)octadec-9-enamide
CID 88770423
(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid
CID 88975040
(Z)-12-methoxy-N,N-dimethyldodec-7-enamide
CID 88975053

Frequently Asked Questions

What is the IUPAC name of (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide?
The IUPAC name of (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide (CID 88975041) is (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide.
What is the SMILES notation for (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide?
The canonical SMILES for (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide is CN(C)C(=O)CCCCC/C=C\CCCCO.
What is the InChIKey of (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide?
The InChIKey is BCMGDOIYBGNYFV-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(2)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h3,5,16H,4,6-13H2,1-2H3/b5-3-.
What are the key properties of (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide?
(Z)-12-hydroxy-N,N-dimethyldodec-7-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-hydroxy-N,N-dimethyldodec-7-enamide is sourced from PubChem (CID 88975041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).