2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide

C12H26N2O3 — CID 55233466

IUPAC2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide
SMILESCOC(CNC(CC(C)C)C(=O)N(C)C)OC
InChIInChI=1S/C12H26N2O3/c1-9(2)7-10(12(15)14(3)4)13-8-11(16-5)17-6/h9-11,13H,7-8H2,1-6H3
InChIKeyOQQICRBDLVSMBF-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.70
Rot. Bonds8

About 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide

2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide (PubChem CID 55233466) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide
PubChem CID55233466
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide
SMILESCOC(CNC(CC(C)C)C(=O)N(C)C)OC
InChIInChI=1S/C12H26N2O3/c1-9(2)7-10(12(15)14(3)4)13-8-11(16-5)17-6/h9-11,13H,7-8H2,1-6H3
InChIKeyOQQICRBDLVSMBF-UHFFFAOYSA-N
XLogP0.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide?
The IUPAC name of 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide (CID 55233466) is 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide is COC(CNC(CC(C)C)C(=O)N(C)C)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide?
The InChIKey is OQQICRBDLVSMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)7-10(12(15)14(3)4)13-8-11(16-5)17-6/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide?
2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylamino)-N,N,4-trimethylpentanamide is sourced from PubChem (CID 55233466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).