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

C12H24N2O2 — CID 65235485

IUPAC2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCOC(CC)C1
InChIInChI=1S/C12H24N2O2/c1-3-6-14-12(9-11(13)15)5-7-16-10(4-2)8-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyBTAGSXSDKSFYLS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

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

2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide (PubChem CID 65235485) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide
PubChem CID65235485
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCOC(CC)C1
InChIInChI=1S/C12H24N2O2/c1-3-6-14-12(9-11(13)15)5-7-16-10(4-2)8-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyBTAGSXSDKSFYLS-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide?
The IUPAC name of 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide (CID 65235485) is 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide.
What is the SMILES notation for 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide?
The canonical SMILES for 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide is CCCNC1(CC(N)=O)CCOC(CC)C1.
What is the InChIKey of 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide?
The InChIKey is BTAGSXSDKSFYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-14-12(9-11(13)15)5-7-16-10(4-2)8-12/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide?
2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(propylamino)oxan-4-yl]acetamide is sourced from PubChem (CID 65235485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).