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

C14H27NO2 — CID 14815154

IUPAC2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide
SMILESC=CC(O)C(C)(CCCCCC)C(=O)N(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-11-14(3,12(16)7-2)13(17)15(4)5/h7,12,16H,2,6,8-11H2,1,3-5H3
InChIKeyCBEZABZGVUYCNM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds8

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

2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide (PubChem CID 14815154) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide
PubChem CID14815154
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide
SMILESC=CC(O)C(C)(CCCCCC)C(=O)N(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-11-14(3,12(16)7-2)13(17)15(4)5/h7,12,16H,2,6,8-11H2,1,3-5H3
InChIKeyCBEZABZGVUYCNM-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
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-di-methyl-3-hydroxy-2-hexyl-4-pentenamide
CID 14815151
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
CID 174990439
N,N-diethyl-2-(1-hydroxyethyl)undec-10-enamide
CID 10945964
2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
CID 15877649
(Z)-N,N,2-tris(hydroxymethyl)-2-methyloctadec-9-enamide
CID 44184759
(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,2-trimethyloctanamide?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide (CID 14815154) is 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide is C=CC(O)C(C)(CCCCCC)C(=O)N(C)C.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide?
The InChIKey is CBEZABZGVUYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-9-10-11-14(3,12(16)7-2)13(17)15(4)5/h7,12,16H,2,6,8-11H2,1,3-5H3.
What are the key properties of 2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide?
2-(1-hydroxyprop-2-enyl)-N,N,2-trimethyloctanamide has a molecular weight of 241.37 g/mol, XLogP of 2.60, 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,2-trimethyloctanamide is sourced from PubChem (CID 14815154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).