(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide

C17H29NO2 — CID 21297933

IUPAC(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCO
InChIInChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)18-11-12-19/h7,9,13,19H,5-6,8,10-12H2,1-4H3,(H,18,20)/b15-9+,16-13+
InChIKeyXIPTWGWYBDLXGA-RNPYNJAESA-N
MW279.42 g/mol
LogP3.51
Rot. Bonds9

About (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide

(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide (PubChem CID 21297933) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
PubChem CID21297933
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCO
InChIInChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)18-11-12-19/h7,9,13,19H,5-6,8,10-12H2,1-4H3,(H,18,20)/b15-9+,16-13+
InChIKeyXIPTWGWYBDLXGA-RNPYNJAESA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide (CID 21297933) is (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCO.
What is the InChIKey of (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The InChIKey is XIPTWGWYBDLXGA-RNPYNJAESA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)18-11-12-19/h7,9,13,19H,5-6,8,10-12H2,1-4H3,(H,18,20)/b15-9+,16-13+.
What are the key properties of (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide has a molecular weight of 279.42 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 21297933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).