N-propan-2-yloxybutanamide

C7H15NO2 — CID 88970223

IUPACN-propan-2-yloxybutanamide
SMILESCCCC(=O)NOC(C)C
InChIInChI=1S/C7H15NO2/c1-4-5-7(9)8-10-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyOXLLBIJMSVLBEH-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.24
Rot. Bonds4

About N-propan-2-yloxybutanamide

N-propan-2-yloxybutanamide (PubChem CID 88970223) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-propan-2-yloxybutanamide
PubChem CID88970223
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-propan-2-yloxybutanamide
SMILESCCCC(=O)NOC(C)C
InChIInChI=1S/C7H15NO2/c1-4-5-7(9)8-10-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyOXLLBIJMSVLBEH-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-propan-2-yloxybutanamide?
The IUPAC name of N-propan-2-yloxybutanamide (CID 88970223) is N-propan-2-yloxybutanamide.
What is the SMILES notation for N-propan-2-yloxybutanamide?
The canonical SMILES for N-propan-2-yloxybutanamide is CCCC(=O)NOC(C)C.
What is the InChIKey of N-propan-2-yloxybutanamide?
The InChIKey is OXLLBIJMSVLBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-7(9)8-10-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-propan-2-yloxybutanamide?
N-propan-2-yloxybutanamide has a molecular weight of 145.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxybutanamide is sourced from PubChem (CID 88970223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).