N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide

C17H23NO3 — CID 11266241

IUPACN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide
SMILESO=C(CC1CCCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-13-14-6-2-1-3-7-14)12-15-8-4-5-9-17(15)20-10-11-21-17/h1-3,6-7,15H,4-5,8-13H2,(H,18,19)
InChIKeyWDFKKKZJEUGNKJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.63
Rot. Bonds4

About N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide

N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide (PubChem CID 11266241) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide
PubChem CID11266241
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide
SMILESO=C(CC1CCCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-13-14-6-2-1-3-7-14)12-15-8-4-5-9-17(15)20-10-11-21-17/h1-3,6-7,15H,4-5,8-13H2,(H,18,19)
InChIKeyWDFKKKZJEUGNKJ-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide?
The IUPAC name of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide (CID 11266241) is N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide is O=C(CC1CCCCC12OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide?
The InChIKey is WDFKKKZJEUGNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-13-14-6-2-1-3-7-14)12-15-8-4-5-9-17(15)20-10-11-21-17/h1-3,6-7,15H,4-5,8-13H2,(H,18,19).
What are the key properties of N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide?
N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide has a molecular weight of 289.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,4-dioxaspiro[4.5]decan-6-yl)acetamide is sourced from PubChem (CID 11266241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).