4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane

C12H30N2O2 — CID 166075843

IUPAC4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane
SMILESCC.CC.CNC(=O)CC(CN(C)C)OC
InChIInChI=1S/C8H18N2O2.2C2H6/c1-9-8(11)5-7(12-4)6-10(2)3;2*1-2/h7H,5-6H2,1-4H3,(H,9,11);2*1-2H3
InChIKeyWWBKRLTWORJGTL-UHFFFAOYSA-N
MW234.38 g/mol
LogP1.75
Rot. Bonds5

About 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane

4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane (PubChem CID 166075843) has the molecular formula C12H30N2O2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane.

Molecular Properties

Compound Name4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane
PubChem CID166075843
Molecular FormulaC12H30N2O2
Molecular Weight234.38 g/mol
Exact Mass234.23
IUPAC Name4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane
SMILESCC.CC.CNC(=O)CC(CN(C)C)OC
InChIInChI=1S/C8H18N2O2.2C2H6/c1-9-8(11)5-7(12-4)6-10(2)3;2*1-2/h7H,5-6H2,1-4H3,(H,9,11);2*1-2H3
InChIKeyWWBKRLTWORJGTL-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane?
The IUPAC name of 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane (CID 166075843) is 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane.
What is the SMILES notation for 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane?
The canonical SMILES for 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane is CC.CC.CNC(=O)CC(CN(C)C)OC.
What is the InChIKey of 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane?
The InChIKey is WWBKRLTWORJGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.2C2H6/c1-9-8(11)5-7(12-4)6-10(2)3;2*1-2/h7H,5-6H2,1-4H3,(H,9,11);2*1-2H3.
What are the key properties of 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane?
4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane has a molecular weight of 234.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methoxy-N-methylbutanamide;ethane is sourced from PubChem (CID 166075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).