N-butyl-N-methylacetamide

C7H15NO — CID 23277869

IUPACN-butyl-N-methylacetamide
SMILESCCCCN(C)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-6-8(3)7(2)9/h4-6H2,1-3H3
InChIKeyMBRADLLFMJDSSQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.26
Rot. Bonds3

About N-butyl-N-methylacetamide

N-butyl-N-methylacetamide (PubChem CID 23277869) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butyl-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-N-methylacetamide
PubChem CID23277869
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butyl-N-methylacetamide
SMILESCCCCN(C)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-6-8(3)7(2)9/h4-6H2,1-3H3
InChIKeyMBRADLLFMJDSSQ-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylacetamide?
The IUPAC name of N-butyl-N-methylacetamide (CID 23277869) is N-butyl-N-methylacetamide.
What is the SMILES notation for N-butyl-N-methylacetamide?
The canonical SMILES for N-butyl-N-methylacetamide is CCCCN(C)C(C)=O.
What is the InChIKey of N-butyl-N-methylacetamide?
The InChIKey is MBRADLLFMJDSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-8(3)7(2)9/h4-6H2,1-3H3.
What are the key properties of N-butyl-N-methylacetamide?
N-butyl-N-methylacetamide has a molecular weight of 129.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylacetamide is sourced from PubChem (CID 23277869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).