N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide

C14H25NO3 — CID 90934645

IUPACN,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)N(CCO)CCO
InChIInChI=1S/C14H25NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,11,16-17H,4,6-10H2,1-3H3
InChIKeyIAZJZPLWHIURLG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds8

About N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide

N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (PubChem CID 90934645) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
PubChem CID90934645
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)N(CCO)CCO
InChIInChI=1S/C14H25NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,11,16-17H,4,6-10H2,1-3H3
InChIKeyIAZJZPLWHIURLG-UHFFFAOYSA-N
XLogP1.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (CID 90934645) is N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The InChIKey is IAZJZPLWHIURLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,11,16-17H,4,6-10H2,1-3H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 90934645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).