(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C22H37NO2 — CID 21297982

IUPAC(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCO
InChIInChI=1S/C22H37NO2/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/h9,11,13,17,24H,6-8,10,12,14-16H2,1-5H3,(H,23,25)/b19-11+,20-13+,21-17+
InChIKeyQYISNUCXMFHVMX-FPSROUMGSA-N
MW347.54 g/mol
LogP5.24
Rot. Bonds12

About (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 21297982) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID21297982
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCO
InChIInChI=1S/C22H37NO2/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/h9,11,13,17,24H,6-8,10,12,14-16H2,1-5H3,(H,23,25)/b19-11+,20-13+,21-17+
InChIKeyQYISNUCXMFHVMX-FPSROUMGSA-N
XLogP5.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide 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 (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 21297982) is (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCO.
What is the InChIKey of (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is QYISNUCXMFHVMX-FPSROUMGSA-N. The full InChI is InChI=1S/C22H37NO2/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/h9,11,13,17,24H,6-8,10,12,14-16H2,1-5H3,(H,23,25)/b19-11+,20-13+,21-17+.
What are the key properties of (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 347.54 g/mol, XLogP of 5.24, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 21297982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).