N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide

C22H43NO2 — CID 54155557

IUPACN-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCC(=CC(=O)NCCO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H43NO2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)23-15-16-24/h17-20,24H,6-16H2,1-5H3,(H,23,25)
InChIKeyOKUKILRUTZSUAH-UHFFFAOYSA-N
MW353.59 g/mol
LogP5.48
Rot. Bonds15

About N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide

N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide (PubChem CID 54155557) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
PubChem CID54155557
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC NameN-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCC(=CC(=O)NCCO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H43NO2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)23-15-16-24/h17-20,24H,6-16H2,1-5H3,(H,23,25)
InChIKeyOKUKILRUTZSUAH-UHFFFAOYSA-N
XLogP5.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide (CID 54155557) is N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide is CC(=CC(=O)NCCO)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The InChIKey is OKUKILRUTZSUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)17-22(25)23-15-16-24/h17-20,24H,6-16H2,1-5H3,(H,23,25).
What are the key properties of N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide has a molecular weight of 353.59 g/mol, XLogP of 5.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide is sourced from PubChem (CID 54155557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).