2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide

C12H24N2O2 — CID 68922402

IUPAC2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(13)11(15)14-8-9-4-6-16-7-5-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNIZXZDQJCQPCGN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide

2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide (PubChem CID 68922402) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide
PubChem CID68922402
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(13)11(15)14-8-9-4-6-16-7-5-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNIZXZDQJCQPCGN-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide (CID 68922402) is 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide is CC(C)(C)C(N)C(=O)NCC1CCOCC1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The InChIKey is NIZXZDQJCQPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10(13)11(15)14-8-9-4-6-16-7-5-9/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide?
2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide is sourced from PubChem (CID 68922402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).