(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide

C16H27NO3 — CID 87163900

IUPAC(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CC(=O)N(CCO)CCO
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,6-7,9-10,18-19H,2,5,8,11-15H2,1H3/b4-3-,7-6-,10-9-
InChIKeyKWUOGIDTXVSSAN-PDBXOOCHSA-N
MW281.40 g/mol
LogP2.05
Rot. Bonds11

About (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide

(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide (PubChem CID 87163900) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide.

Molecular Properties

Compound Name(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide
PubChem CID87163900
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CC(=O)N(CCO)CCO
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,6-7,9-10,18-19H,2,5,8,11-15H2,1H3/b4-3-,7-6-,10-9-
InChIKeyKWUOGIDTXVSSAN-PDBXOOCHSA-N
XLogP2.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide?
The IUPAC name of (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide (CID 87163900) is (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide.
What is the SMILES notation for (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide?
The canonical SMILES for (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide is CC/C=C\C/C=C\C/C=C\CC(=O)N(CCO)CCO.
What is the InChIKey of (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide?
The InChIKey is KWUOGIDTXVSSAN-PDBXOOCHSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,6-7,9-10,18-19H,2,5,8,11-15H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide?
(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide has a molecular weight of 281.40 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide is sourced from PubChem (CID 87163900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).