N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide

C20H16N2O3 — CID 155557495

IUPACN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C1c3ccccc3C2C2C(=O)NC(=O)C12
InChIInChI=1S/C20H16N2O3/c1-9(23)21-13-8-4-7-12-14-10-5-2-3-6-11(10)16(15(12)13)18-17(14)19(24)22-20(18)25/h2-8,14,16-18H,1H3,(H,21,23)(H,22,24,25)
InChIKeyOZQOTOAAFVHBSB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.12
Rot. Bonds1

About N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide

N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide (PubChem CID 155557495) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide.

Molecular Properties

Compound NameN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide
PubChem CID155557495
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C1c3ccccc3C2C2C(=O)NC(=O)C12
InChIInChI=1S/C20H16N2O3/c1-9(23)21-13-8-4-7-12-14-10-5-2-3-6-11(10)16(15(12)13)18-17(14)19(24)22-20(18)25/h2-8,14,16-18H,1H3,(H,21,23)(H,22,24,25)
InChIKeyOZQOTOAAFVHBSB-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide?
The IUPAC name of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide (CID 155557495) is N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide.
What is the SMILES notation for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide?
The canonical SMILES for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide is CC(=O)Nc1cccc2c1C1c3ccccc3C2C2C(=O)NC(=O)C12.
What is the InChIKey of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide?
The InChIKey is OZQOTOAAFVHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-9(23)21-13-8-4-7-12-14-10-5-2-3-6-11(10)16(15(12)13)18-17(14)19(24)22-20(18)25/h2-8,14,16-18H,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide?
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-3-yl)acetamide is sourced from PubChem (CID 155557495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).