N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide

C15H19NO3 — CID 18583936

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)
InChIKeyJCRSSNSUTVUCDS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide (PubChem CID 18583936) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
PubChem CID18583936
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)
InChIKeyJCRSSNSUTVUCDS-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide (CID 18583936) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide is O=C(NCC1COC2(CCCC2)O1)c1ccccc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The InChIKey is JCRSSNSUTVUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-13-11-18-15(19-13)8-4-5-9-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide is sourced from PubChem (CID 18583936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).