N-(4-methoxybutyl)-N-methylacetamide

C8H17NO2 — CID 88898782

IUPACN-(4-methoxybutyl)-N-methylacetamide
SMILESCOCCCCN(C)C(C)=O
InChIInChI=1S/C8H17NO2/c1-8(10)9(2)6-4-5-7-11-3/h4-7H2,1-3H3
InChIKeyVZBTUKJBJCWDIA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds5

About N-(4-methoxybutyl)-N-methylacetamide

N-(4-methoxybutyl)-N-methylacetamide (PubChem CID 88898782) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-methylacetamide
PubChem CID88898782
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(4-methoxybutyl)-N-methylacetamide
SMILESCOCCCCN(C)C(C)=O
InChIInChI=1S/C8H17NO2/c1-8(10)9(2)6-4-5-7-11-3/h4-7H2,1-3H3
InChIKeyVZBTUKJBJCWDIA-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
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 N-(4-methoxybutyl)-N-methylacetamide?
The IUPAC name of N-(4-methoxybutyl)-N-methylacetamide (CID 88898782) is N-(4-methoxybutyl)-N-methylacetamide.
What is the SMILES notation for N-(4-methoxybutyl)-N-methylacetamide?
The canonical SMILES for N-(4-methoxybutyl)-N-methylacetamide is COCCCCN(C)C(C)=O.
What is the InChIKey of N-(4-methoxybutyl)-N-methylacetamide?
The InChIKey is VZBTUKJBJCWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)9(2)6-4-5-7-11-3/h4-7H2,1-3H3.
What are the key properties of N-(4-methoxybutyl)-N-methylacetamide?
N-(4-methoxybutyl)-N-methylacetamide has a molecular weight of 159.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-methylacetamide is sourced from PubChem (CID 88898782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).