2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide

C13H26N2O2 — CID 65235634

IUPAC2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCOC(C)(CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-7-15-13(9-11(14)16)6-8-17-12(3,5-2)10-13/h15H,4-10H2,1-3H3,(H2,14,16)
InChIKeyXJUIJXPDYKCXGD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds6

About 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide

2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide (PubChem CID 65235634) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide
PubChem CID65235634
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCOC(C)(CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-7-15-13(9-11(14)16)6-8-17-12(3,5-2)10-13/h15H,4-10H2,1-3H3,(H2,14,16)
InChIKeyXJUIJXPDYKCXGD-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide?
The IUPAC name of 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide (CID 65235634) is 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide.
What is the SMILES notation for 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide?
The canonical SMILES for 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide is CCCNC1(CC(N)=O)CCOC(C)(CC)C1.
What is the InChIKey of 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide?
The InChIKey is XJUIJXPDYKCXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-7-15-13(9-11(14)16)6-8-17-12(3,5-2)10-13/h15H,4-10H2,1-3H3,(H2,14,16).
What are the key properties of 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide?
2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-methyl-4-(propylamino)oxan-4-yl]acetamide is sourced from PubChem (CID 65235634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).