2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide

C14H28N2O4 — CID 75372246

IUPAC2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide
SMILESCCOCC(=O)N(C)CCCCN(C)C(=O)COCC
InChIInChI=1S/C14H28N2O4/c1-5-19-11-13(17)15(3)9-7-8-10-16(4)14(18)12-20-6-2/h5-12H2,1-4H3
InChIKeyCQTDOSWNTVCKGT-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.76
Rot. Bonds11

About 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide

2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide (PubChem CID 75372246) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide
PubChem CID75372246
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide
SMILESCCOCC(=O)N(C)CCCCN(C)C(=O)COCC
InChIInChI=1S/C14H28N2O4/c1-5-19-11-13(17)15(3)9-7-8-10-16(4)14(18)12-20-6-2/h5-12H2,1-4H3
InChIKeyCQTDOSWNTVCKGT-UHFFFAOYSA-N
XLogP0.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide?
The IUPAC name of 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide (CID 75372246) is 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide?
The canonical SMILES for 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide is CCOCC(=O)N(C)CCCCN(C)C(=O)COCC.
What is the InChIKey of 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide?
The InChIKey is CQTDOSWNTVCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-19-11-13(17)15(3)9-7-8-10-16(4)14(18)12-20-6-2/h5-12H2,1-4H3.
What are the key properties of 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide?
2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide has a molecular weight of 288.39 g/mol, XLogP of 0.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide is sourced from PubChem (CID 75372246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).