3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide

C10H19NO2 — CID 103021032

IUPAC3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO2/c1-8(2)7-11-9(12)6-10(3,4)13-5/h1,6-7H2,2-5H3,(H,11,12)
InChIKeyNUUMCOGGWFAZRO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide

3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide (PubChem CID 103021032) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide
PubChem CID103021032
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO2/c1-8(2)7-11-9(12)6-10(3,4)13-5/h1,6-7H2,2-5H3,(H,11,12)
InChIKeyNUUMCOGGWFAZRO-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide (CID 103021032) is 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is NUUMCOGGWFAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)7-11-9(12)6-10(3,4)13-5/h1,6-7H2,2-5H3,(H,11,12).
What are the key properties of 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide?
3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 103021032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).