N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide

C23H22N2O5 — CID 132916163

IUPACN-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide
SMILESCC12C=C(NC(=O)c3ccccc3)CC(N(C(=O)c3ccccc3)O1)C21OCCO1
InChIInChI=1S/C23H22N2O5/c1-22-15-18(24-20(26)16-8-4-2-5-9-16)14-19(23(22)28-12-13-29-23)25(30-22)21(27)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,24,26)
InChIKeyZHFUZUVHEQJFEU-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.66
Rot. Bonds3

About N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide

N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide (PubChem CID 132916163) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide.

Molecular Properties

Compound NameN-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide
PubChem CID132916163
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide
SMILESCC12C=C(NC(=O)c3ccccc3)CC(N(C(=O)c3ccccc3)O1)C21OCCO1
InChIInChI=1S/C23H22N2O5/c1-22-15-18(24-20(26)16-8-4-2-5-9-16)14-19(23(22)28-12-13-29-23)25(30-22)21(27)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,24,26)
InChIKeyZHFUZUVHEQJFEU-UHFFFAOYSA-N
XLogP2.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide?
The IUPAC name of N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide (CID 132916163) is N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide.
What is the SMILES notation for N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide?
The canonical SMILES for N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide is CC12C=C(NC(=O)c3ccccc3)CC(N(C(=O)c3ccccc3)O1)C21OCCO1.
What is the InChIKey of N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide?
The InChIKey is ZHFUZUVHEQJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-22-15-18(24-20(26)16-8-4-2-5-9-16)14-19(23(22)28-12-13-29-23)25(30-22)21(27)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,24,26).
What are the key properties of N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide?
N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7'-benzoyl-5'-methylspiro[1,3-dioxolane-2,8'-6-oxa-7-azabicyclo[3.2.1]oct-3-ene]-3'-yl)benzamide is sourced from PubChem (CID 132916163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).