2-butoxy-N,N-dimethylpropanamide

C9H19NO2 — CID 19810118

IUPAC2-butoxy-N,N-dimethylpropanamide
SMILESCCCCOC(C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-7-12-8(2)9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyQNCIBJFNLGQZIK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About 2-butoxy-N,N-dimethylpropanamide

2-butoxy-N,N-dimethylpropanamide (PubChem CID 19810118) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-butoxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-butoxy-N,N-dimethylpropanamide
PubChem CID19810118
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-butoxy-N,N-dimethylpropanamide
SMILESCCCCOC(C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-7-12-8(2)9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyQNCIBJFNLGQZIK-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-butoxy-N,N-dimethylpropanamide?
The IUPAC name of 2-butoxy-N,N-dimethylpropanamide (CID 19810118) is 2-butoxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2-butoxy-N,N-dimethylpropanamide?
The canonical SMILES for 2-butoxy-N,N-dimethylpropanamide is CCCCOC(C)C(=O)N(C)C.
What is the InChIKey of 2-butoxy-N,N-dimethylpropanamide?
The InChIKey is QNCIBJFNLGQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-7-12-8(2)9(11)10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-butoxy-N,N-dimethylpropanamide?
2-butoxy-N,N-dimethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N,N-dimethylpropanamide is sourced from PubChem (CID 19810118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).