2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide

C21H28N2O3 — CID 91919359

IUPAC2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide
SMILESO=C(CC1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1)NC1CC1
InChIInChI=1S/C21H28N2O3/c24-19(22-18-6-7-18)14-16-8-13-26-21(15-16)9-11-23(12-10-21)20(25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,22,24)
InChIKeyGQQISVLSNAXGEC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds4

About 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide

2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide (PubChem CID 91919359) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide
PubChem CID91919359
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide
SMILESO=C(CC1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1)NC1CC1
InChIInChI=1S/C21H28N2O3/c24-19(22-18-6-7-18)14-16-8-13-26-21(15-16)9-11-23(12-10-21)20(25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,22,24)
InChIKeyGQQISVLSNAXGEC-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide (CID 91919359) is 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide is O=C(CC1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1)NC1CC1.
What is the InChIKey of 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide?
The InChIKey is GQQISVLSNAXGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(22-18-6-7-18)14-16-8-13-26-21(15-16)9-11-23(12-10-21)20(25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,22,24).
What are the key properties of 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide?
2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 91919359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).