N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide

C19H18N2O3 — CID 2856874

IUPACN-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)C2C(C1=O)C1C=CC2C12CC2
InChIInChI=1S/C19H18N2O3/c22-14(10-11-4-2-1-3-5-11)20-21-17(23)15-12-6-7-13(16(15)18(21)24)19(12)8-9-19/h1-7,12-13,15-16H,8-10H2,(H,20,22)
InChIKeyDSPNXKHVYQLUJU-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.46
Rot. Bonds3

About N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide

N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide (PubChem CID 2856874) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide
PubChem CID2856874
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)C2C(C1=O)C1C=CC2C12CC2
InChIInChI=1S/C19H18N2O3/c22-14(10-11-4-2-1-3-5-11)20-21-17(23)15-12-6-7-13(16(15)18(21)24)19(12)8-9-19/h1-7,12-13,15-16H,8-10H2,(H,20,22)
InChIKeyDSPNXKHVYQLUJU-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-phenylacetamide
CID 6543642
N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 124536832
N-[(3aR,4R,7S,7aS)-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-phenylacetamide
CID 98203813
N-(3,4,5,6,15,15-hexachloro-10,12-dioxo-14-oxa-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-en-11-yl)-2-phenylacetamide
CID 4182893
4-chloro-N-[(1S,2S,6S,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 6542228
N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide
CID 7331873
3-chloro-N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 98171075
N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide
CID 11438688
2-phenyl-N-thiomorpholin-4-ylacetamide
CID 67639755
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
CID 3694017
N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide
CID 124718769
N-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 99090564

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide?
The IUPAC name of N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide (CID 2856874) is N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NN1C(=O)C2C(C1=O)C1C=CC2C12CC2.
What is the InChIKey of N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide?
The InChIKey is DSPNXKHVYQLUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-14(10-11-4-2-1-3-5-11)20-21-17(23)15-12-6-7-13(16(15)18(21)24)19(12)8-9-19/h1-7,12-13,15-16H,8-10H2,(H,20,22).
What are the key properties of N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide?
N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide has a molecular weight of 322.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide is sourced from PubChem (CID 2856874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).