2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide

C12H26N2O3 — CID 112589029

IUPAC2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
SMILESCNC(C)(CCOCCOC(C)(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-11(2,3)17-9-8-16-7-6-12(4,14-5)10(13)15/h14H,6-9H2,1-5H3,(H2,13,15)
InChIKeyQVIYAPZJRQBZJB-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds8

About 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide

2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide (PubChem CID 112589029) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
PubChem CID112589029
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
SMILESCNC(C)(CCOCCOC(C)(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-11(2,3)17-9-8-16-7-6-12(4,14-5)10(13)15/h14H,6-9H2,1-5H3,(H2,13,15)
InChIKeyQVIYAPZJRQBZJB-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
CID 112589105
4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)butanamide
CID 106204321
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)propanamide
CID 104565052
2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
CID 82957965
2-methyl-2-(methylamino)-3-(2-propoxyethoxy)propanamide
CID 63684948
2-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589177
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide (CID 112589029) is 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide is CNC(C)(CCOCCOC(C)(C)C)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide?
The InChIKey is QVIYAPZJRQBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2,3)17-9-8-16-7-6-12(4,14-5)10(13)15/h14H,6-9H2,1-5H3,(H2,13,15).
What are the key properties of 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide?
2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide is sourced from PubChem (CID 112589029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).