4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane

C13H30N2O2 — CID 166075570

IUPAC4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
SMILESCC.COCCNC(=O)C(C)(C)CCN(C)C
InChIInChI=1S/C11H24N2O2.C2H6/c1-11(2,6-8-13(3)4)10(14)12-7-9-15-5;1-2/h6-9H2,1-5H3,(H,12,14);1-2H3
InChIKeyZLJRIWSEFHYXEW-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.75
Rot. Bonds7

About 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane

4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane (PubChem CID 166075570) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
PubChem CID166075570
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
SMILESCC.COCCNC(=O)C(C)(C)CCN(C)C
InChIInChI=1S/C11H24N2O2.C2H6/c1-11(2,6-8-13(3)4)10(14)12-7-9-15-5;1-2/h6-9H2,1-5H3,(H,12,14);1-2H3
InChIKeyZLJRIWSEFHYXEW-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
CID 156710702
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 166802488
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane?
The IUPAC name of 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane (CID 166075570) is 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane.
What is the SMILES notation for 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane?
The canonical SMILES for 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane is CC.COCCNC(=O)C(C)(C)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane?
The InChIKey is ZLJRIWSEFHYXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.C2H6/c1-11(2,6-8-13(3)4)10(14)12-7-9-15-5;1-2/h6-9H2,1-5H3,(H,12,14);1-2H3.
What are the key properties of 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane?
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane has a molecular weight of 246.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane is sourced from PubChem (CID 166075570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).