N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide

C18H24N2O3 — CID 131662078

IUPACN-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
SMILESCC(=O)N1CCC2(CCOCC2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c1-14(21)20-10-7-18(8-11-20)9-12-23-13-16(18)19-17(22)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,22)
InChIKeyBOGIDZSSUZGJQD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.83
Rot. Bonds2

About N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide

N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide (PubChem CID 131662078) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide.

Molecular Properties

Compound NameN-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
PubChem CID131662078
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
SMILESCC(=O)N1CCC2(CCOCC2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c1-14(21)20-10-7-18(8-11-20)9-12-23-13-16(18)19-17(22)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,22)
InChIKeyBOGIDZSSUZGJQD-UHFFFAOYSA-N
XLogP1.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The IUPAC name of N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide (CID 131662078) is N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide.
What is the SMILES notation for N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The canonical SMILES for N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide is CC(=O)N1CCC2(CCOCC2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The InChIKey is BOGIDZSSUZGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(21)20-10-7-18(8-11-20)9-12-23-13-16(18)19-17(22)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,22).
What are the key properties of N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide is sourced from PubChem (CID 131662078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).