N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide

C16H21NO3 — CID 11391707

IUPACN-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide
SMILESO=C(CC1CCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(17-12-13-5-2-1-3-6-13)11-14-7-4-8-16(14)19-9-10-20-16/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyISGICKLEEIWJJW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds4

About N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide

N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide (PubChem CID 11391707) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide
PubChem CID11391707
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide
SMILESO=C(CC1CCCC12OCCO2)NCc1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(17-12-13-5-2-1-3-6-13)11-14-7-4-8-16(14)19-9-10-20-16/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyISGICKLEEIWJJW-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
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[4.4]nonan-9-yl)acetamide?
The IUPAC name of N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide (CID 11391707) is N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide is O=C(CC1CCCC12OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide?
The InChIKey is ISGICKLEEIWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(17-12-13-5-2-1-3-6-13)11-14-7-4-8-16(14)19-9-10-20-16/h1-3,5-6,14H,4,7-12H2,(H,17,18).
What are the key properties of N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide?
N-benzyl-2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.24, 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[4.4]nonan-9-yl)acetamide is sourced from PubChem (CID 11391707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).