N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane

C13H25NO3 — CID 145226421

IUPACN-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane
SMILESCC.CC1(OCC(=O)NC2CC2)CCOCC1
InChIInChI=1S/C11H19NO3.C2H6/c1-11(4-6-14-7-5-11)15-8-10(13)12-9-2-3-9;1-2/h9H,2-8H2,1H3,(H,12,13);1-2H3
InChIKeyYUIMXMWGRHXURP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane

N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane (PubChem CID 145226421) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane
PubChem CID145226421
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane
SMILESCC.CC1(OCC(=O)NC2CC2)CCOCC1
InChIInChI=1S/C11H19NO3.C2H6/c1-11(4-6-14-7-5-11)15-8-10(13)12-9-2-3-9;1-2/h9H,2-8H2,1H3,(H,12,13);1-2H3
InChIKeyYUIMXMWGRHXURP-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane?
The IUPAC name of N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane (CID 145226421) is N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane.
What is the SMILES notation for N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane?
The canonical SMILES for N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane is CC.CC1(OCC(=O)NC2CC2)CCOCC1.
What is the InChIKey of N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane?
The InChIKey is YUIMXMWGRHXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.C2H6/c1-11(4-6-14-7-5-11)15-8-10(13)12-9-2-3-9;1-2/h9H,2-8H2,1H3,(H,12,13);1-2H3.
What are the key properties of N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane?
N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane has a molecular weight of 243.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyloxan-4-yl)oxyacetamide;ethane is sourced from PubChem (CID 145226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).