3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

C17H23NO2 — CID 122276326

IUPAC3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCC23CCOCC3)cc1C
InChIInChI=1S/C17H23NO2/c1-12-3-4-14(11-13(12)2)16(19)18-15-5-6-17(15)7-9-20-10-8-17/h3-4,11,15H,5-10H2,1-2H3,(H,18,19)
InChIKeyAQQDGRDXKXHIKP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds2

About 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (PubChem CID 122276326) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
PubChem CID122276326
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCC23CCOCC3)cc1C
InChIInChI=1S/C17H23NO2/c1-12-3-4-14(11-13(12)2)16(19)18-15-5-6-17(15)7-9-20-10-8-17/h3-4,11,15H,5-10H2,1-2H3,(H,18,19)
InChIKeyAQQDGRDXKXHIKP-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (CID 122276326) is 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is Cc1ccc(C(=O)NC2CCC23CCOCC3)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The InChIKey is AQQDGRDXKXHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-3-4-14(11-13(12)2)16(19)18-15-5-6-17(15)7-9-20-10-8-17/h3-4,11,15H,5-10H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is sourced from PubChem (CID 122276326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).