2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide

C29H58N2O3 — CID 86208723

IUPAC2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide
SMILESCCCCCCCCN(C)C(=O)C(CCCCCC)(OCC)C(=O)N(C)CCCCCCCC
InChIInChI=1S/C29H58N2O3/c1-7-11-14-17-19-22-25-30(5)27(32)29(34-10-4,24-21-16-13-9-3)28(33)31(6)26-23-20-18-15-12-8-2/h7-26H2,1-6H3
InChIKeyWCAFTTMKCJEYAI-UHFFFAOYSA-N
MW482.79 g/mol
LogP7.37
Rot. Bonds23

About 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide

2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide (PubChem CID 86208723) has the molecular formula C29H58N2O3 and a molecular weight of 482.79 g/mol. Its IUPAC name is 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide.

Molecular Properties

Compound Name2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide
PubChem CID86208723
Molecular FormulaC29H58N2O3
Molecular Weight482.79 g/mol
Exact Mass482.44
IUPAC Name2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide
SMILESCCCCCCCCN(C)C(=O)C(CCCCCC)(OCC)C(=O)N(C)CCCCCCCC
InChIInChI=1S/C29H58N2O3/c1-7-11-14-17-19-22-25-30(5)27(32)29(34-10-4,24-21-16-13-9-3)28(33)31(6)26-23-20-18-15-12-8-2/h7-26H2,1-6H3
InChIKeyWCAFTTMKCJEYAI-UHFFFAOYSA-N
XLogP7.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide?
The IUPAC name of 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide (CID 86208723) is 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide.
What is the SMILES notation for 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide?
The canonical SMILES for 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide is CCCCCCCCN(C)C(=O)C(CCCCCC)(OCC)C(=O)N(C)CCCCCCCC.
What is the InChIKey of 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide?
The InChIKey is WCAFTTMKCJEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2O3/c1-7-11-14-17-19-22-25-30(5)27(32)29(34-10-4,24-21-16-13-9-3)28(33)31(6)26-23-20-18-15-12-8-2/h7-26H2,1-6H3.
What are the key properties of 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide?
2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide has a molecular weight of 482.79 g/mol, XLogP of 7.37, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-hexyl-N,N'-dimethyl-N,N'-dioctylpropanediamide is sourced from PubChem (CID 86208723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).