N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide

C18H18N2O3 — CID 2963350

IUPACN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H18N2O3/c21-14(9-6-11-4-2-1-3-5-11)19-20-17(22)15-12-7-8-13(10-12)16(15)18(20)23/h1-5,7-8,12-13,15-16H,6,9-10H2,(H,19,21)
InChIKeyWHPIPPITHSQJRA-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.46
Rot. Bonds4

About N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide

N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide (PubChem CID 2963350) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide
PubChem CID2963350
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H18N2O3/c21-14(9-6-11-4-2-1-3-5-11)19-20-17(22)15-12-7-8-13(10-12)16(15)18(20)23/h1-5,7-8,12-13,15-16H,6,9-10H2,(H,19,21)
InChIKeyWHPIPPITHSQJRA-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide (CID 2963350) is N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)NN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide?
The InChIKey is WHPIPPITHSQJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-14(9-6-11-4-2-1-3-5-11)19-20-17(22)15-12-7-8-13(10-12)16(15)18(20)23/h1-5,7-8,12-13,15-16H,6,9-10H2,(H,19,21).
What are the key properties of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide?
N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 2963350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).