2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide

C13H25NO2 — CID 14815151

IUPAC2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide
SMILESC=CC(O)C(CCCCCC)C(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-7-8-9-10-11(12(15)6-2)13(16)14(3)4/h6,11-12,15H,2,5,7-10H2,1,3-4H3
InChIKeyMJWNWEIZCAJFIN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds8

About 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide

2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide (PubChem CID 14815151) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide
PubChem CID14815151
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide
SMILESC=CC(O)C(CCCCCC)C(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-7-8-9-10-11(12(15)6-2)13(16)14(3)4/h6,11-12,15H,2,5,7-10H2,1,3-4H3
InChIKeyMJWNWEIZCAJFIN-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
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

erythro-N,N-dimethyl-3-hydroxy-2-methyl-2-hexyl-4-pentenamide
CID 14815154
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
CID 174990439
N,N-diethyl-2-(1-hydroxyethyl)undec-10-enamide
CID 10945964
5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide
CID 11322754
2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
CID 15877649
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide
CID 174990440

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide (CID 14815151) is 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide is C=CC(O)C(CCCCCC)C(=O)N(C)C.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide?
The InChIKey is MJWNWEIZCAJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-7-8-9-10-11(12(15)6-2)13(16)14(3)4/h6,11-12,15H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide?
2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide has a molecular weight of 227.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)-N,N-dimethyloctanamide is sourced from PubChem (CID 14815151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).