N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide

C21H23N3O2 — CID 24872210

IUPACN-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide
SMILESCc1cc(C)cc(C2=NOC3(CCCC3)N2NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-12-16(2)14-18(13-15)19-23-26-21(10-6-7-11-21)24(19)22-20(25)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,22,25)
InChIKeyHXBRJFXGWWLUPI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.91
Rot. Bonds3

About N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide

N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide (PubChem CID 24872210) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide
PubChem CID24872210
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide
SMILESCc1cc(C)cc(C2=NOC3(CCCC3)N2NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-12-16(2)14-18(13-15)19-23-26-21(10-6-7-11-21)24(19)22-20(25)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,22,25)
InChIKeyHXBRJFXGWWLUPI-UHFFFAOYSA-N
XLogP3.91
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-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-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide?
The IUPAC name of N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide (CID 24872210) is N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide?
The canonical SMILES for N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide is Cc1cc(C)cc(C2=NOC3(CCCC3)N2NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide?
The InChIKey is HXBRJFXGWWLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-12-16(2)14-18(13-15)19-23-26-21(10-6-7-11-21)24(19)22-20(25)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide?
N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide is sourced from PubChem (CID 24872210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).