N-(4-ethoxybutyl)-N-methylacetamide

C9H19NO2 — CID 118974796

IUPACN-(4-ethoxybutyl)-N-methylacetamide
SMILESCCOCCCCN(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-4-12-8-6-5-7-10(3)9(2)11/h4-8H2,1-3H3
InChIKeyRCXSSQZFCPKERN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About N-(4-ethoxybutyl)-N-methylacetamide

N-(4-ethoxybutyl)-N-methylacetamide (PubChem CID 118974796) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N-methylacetamide
PubChem CID118974796
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4-ethoxybutyl)-N-methylacetamide
SMILESCCOCCCCN(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-4-12-8-6-5-7-10(3)9(2)11/h4-8H2,1-3H3
InChIKeyRCXSSQZFCPKERN-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 N-(4-ethoxybutyl)-N-methylacetamide?
The IUPAC name of N-(4-ethoxybutyl)-N-methylacetamide (CID 118974796) is N-(4-ethoxybutyl)-N-methylacetamide.
What is the SMILES notation for N-(4-ethoxybutyl)-N-methylacetamide?
The canonical SMILES for N-(4-ethoxybutyl)-N-methylacetamide is CCOCCCCN(C)C(C)=O.
What is the InChIKey of N-(4-ethoxybutyl)-N-methylacetamide?
The InChIKey is RCXSSQZFCPKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-12-8-6-5-7-10(3)9(2)11/h4-8H2,1-3H3.
What are the key properties of N-(4-ethoxybutyl)-N-methylacetamide?
N-(4-ethoxybutyl)-N-methylacetamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N-methylacetamide is sourced from PubChem (CID 118974796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).