4-cyclopropyloxane;ethane;N-methylacetamide

C15H33NO2 — CID 157037598

IUPAC4-cyclopropyloxane;ethane;N-methylacetamide
SMILESC1CC(C2CC2)CCO1.CC.CC.CNC(C)=O
InChIInChI=1S/C8H14O.C3H7NO.2C2H6/c1-2-7(1)8-3-5-9-6-4-8;1-3(5)4-2;2*1-2/h7-8H,1-6H2;1-2H3,(H,4,5);2*1-2H3
InChIKeyNBSWBPNCVSGOCB-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.63
Rot. Bonds1

About 4-cyclopropyloxane;ethane;N-methylacetamide

4-cyclopropyloxane;ethane;N-methylacetamide (PubChem CID 157037598) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 4-cyclopropyloxane;ethane;N-methylacetamide.

Molecular Properties

Compound Name4-cyclopropyloxane;ethane;N-methylacetamide
PubChem CID157037598
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name4-cyclopropyloxane;ethane;N-methylacetamide
SMILESC1CC(C2CC2)CCO1.CC.CC.CNC(C)=O
InChIInChI=1S/C8H14O.C3H7NO.2C2H6/c1-2-7(1)8-3-5-9-6-4-8;1-3(5)4-2;2*1-2/h7-8H,1-6H2;1-2H3,(H,4,5);2*1-2H3
InChIKeyNBSWBPNCVSGOCB-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyloxane;ethane;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

Related Compounds

acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
ethane;methane;N-methylacetamide
CID 159401147
N-methyl-2-(oxan-4-yl)prop-2-enamide
CID 165147105
CID 159040973
CID 159040973
methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043
4-(3-chlorocyclopentyl)oxane
CID 64515417
N-(3-aminooxan-4-yl)acetamide
CID 83619330
formaldehyde;N-methylacetamide
CID 159490973
1,4-dioxane;propan-2-one
CID 22407776
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
1-(oxan-4-yl)pentane-1,4-dione
CID 62387198

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxane;ethane;N-methylacetamide?
The IUPAC name of 4-cyclopropyloxane;ethane;N-methylacetamide (CID 157037598) is 4-cyclopropyloxane;ethane;N-methylacetamide.
What is the SMILES notation for 4-cyclopropyloxane;ethane;N-methylacetamide?
The canonical SMILES for 4-cyclopropyloxane;ethane;N-methylacetamide is C1CC(C2CC2)CCO1.CC.CC.CNC(C)=O.
What is the InChIKey of 4-cyclopropyloxane;ethane;N-methylacetamide?
The InChIKey is NBSWBPNCVSGOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C3H7NO.2C2H6/c1-2-7(1)8-3-5-9-6-4-8;1-3(5)4-2;2*1-2/h7-8H,1-6H2;1-2H3,(H,4,5);2*1-2H3.
What are the key properties of 4-cyclopropyloxane;ethane;N-methylacetamide?
4-cyclopropyloxane;ethane;N-methylacetamide has a molecular weight of 259.43 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxane;ethane;N-methylacetamide is sourced from PubChem (CID 157037598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).