N-butoxy-N-methylacetamide

C7H15NO2 — CID 15185405

IUPACN-butoxy-N-methylacetamide
SMILESCCCCON(C)C(C)=O
InChIInChI=1S/C7H15NO2/c1-4-5-6-10-8(3)7(2)9/h4-6H2,1-3H3
InChIKeyVQLXONQFJCJKDB-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.20
Rot. Bonds4

About N-butoxy-N-methylacetamide

N-butoxy-N-methylacetamide (PubChem CID 15185405) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-butoxy-N-methylacetamide.

Molecular Properties

Compound NameN-butoxy-N-methylacetamide
PubChem CID15185405
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-butoxy-N-methylacetamide
SMILESCCCCON(C)C(C)=O
InChIInChI=1S/C7H15NO2/c1-4-5-6-10-8(3)7(2)9/h4-6H2,1-3H3
InChIKeyVQLXONQFJCJKDB-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butoxy-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N-methylacetamide?
The IUPAC name of N-butoxy-N-methylacetamide (CID 15185405) is N-butoxy-N-methylacetamide.
What is the SMILES notation for N-butoxy-N-methylacetamide?
The canonical SMILES for N-butoxy-N-methylacetamide is CCCCON(C)C(C)=O.
What is the InChIKey of N-butoxy-N-methylacetamide?
The InChIKey is VQLXONQFJCJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-6-10-8(3)7(2)9/h4-6H2,1-3H3.
What are the key properties of N-butoxy-N-methylacetamide?
N-butoxy-N-methylacetamide has a molecular weight of 145.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N-methylacetamide is sourced from PubChem (CID 15185405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).