3-(2-propan-2-yloxyethylamino)butanamide

C9H20N2O2 — CID 104584756

IUPAC3-(2-propan-2-yloxyethylamino)butanamide
SMILESCC(CC(N)=O)NCCOC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)13-5-4-11-8(3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyQEAQMYIYBASJAT-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.26
Rot. Bonds7

About 3-(2-propan-2-yloxyethylamino)butanamide

3-(2-propan-2-yloxyethylamino)butanamide (PubChem CID 104584756) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethylamino)butanamide.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethylamino)butanamide
PubChem CID104584756
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(2-propan-2-yloxyethylamino)butanamide
SMILESCC(CC(N)=O)NCCOC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)13-5-4-11-8(3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyQEAQMYIYBASJAT-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethylamino)butanamide?
The IUPAC name of 3-(2-propan-2-yloxyethylamino)butanamide (CID 104584756) is 3-(2-propan-2-yloxyethylamino)butanamide.
What is the SMILES notation for 3-(2-propan-2-yloxyethylamino)butanamide?
The canonical SMILES for 3-(2-propan-2-yloxyethylamino)butanamide is CC(CC(N)=O)NCCOC(C)C.
What is the InChIKey of 3-(2-propan-2-yloxyethylamino)butanamide?
The InChIKey is QEAQMYIYBASJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)13-5-4-11-8(3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-(2-propan-2-yloxyethylamino)butanamide?
3-(2-propan-2-yloxyethylamino)butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethylamino)butanamide is sourced from PubChem (CID 104584756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).