2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide

C13H26N2O2 — CID 86797070

IUPAC2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCCCOCC(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-10-17-11-13(16)15(3)9-8-14(2)12-6-7-12/h12H,4-11H2,1-3H3
InChIKeyWSUZZXMKJHJSRA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds9

About 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide

2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide (PubChem CID 86797070) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
PubChem CID86797070
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCCCOCC(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-10-17-11-13(16)15(3)9-8-14(2)12-6-7-12/h12H,4-11H2,1-3H3
InChIKeyWSUZZXMKJHJSRA-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-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 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The IUPAC name of 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide (CID 86797070) is 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide is CCCCOCC(=O)N(C)CCN(C)C1CC1.
What is the InChIKey of 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The InChIKey is WSUZZXMKJHJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-10-17-11-13(16)15(3)9-8-14(2)12-6-7-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide is sourced from PubChem (CID 86797070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).