3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide

C9H20N2O2 — CID 82724126

IUPAC3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCC(C)(N)CC(=O)NOC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2,3)13-11-7(12)6-9(4,5)10/h6,10H2,1-5H3,(H,11,12)
InChIKeyOFALYJFJOHNNNW-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.96
Rot. Bonds3

About 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide

3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 82724126) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID82724126
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCC(C)(N)CC(=O)NOC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2,3)13-11-7(12)6-9(4,5)10/h6,10H2,1-5H3,(H,11,12)
InChIKeyOFALYJFJOHNNNW-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide (CID 82724126) is 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide is CC(C)(N)CC(=O)NOC(C)(C)C.
What is the InChIKey of 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is OFALYJFJOHNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2,3)13-11-7(12)6-9(4,5)10/h6,10H2,1-5H3,(H,11,12).
What are the key properties of 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide?
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 82724126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).