N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide

C22H20N2O3 — CID 2960427

IUPACN-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H20N2O3/c1-12(25)23-10-11-24-21(26)19-17-13-6-2-3-7-14(13)18(20(19)22(24)27)16-9-5-4-8-15(16)17/h2-9,17-20H,10-11H2,1H3,(H,23,25)
InChIKeyPLZSOVNDISHIRD-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.01
Rot. Bonds3

About N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide

N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide (PubChem CID 2960427) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide
PubChem CID2960427
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H20N2O3/c1-12(25)23-10-11-24-21(26)19-17-13-6-2-3-7-14(13)18(20(19)22(24)27)16-9-5-4-8-15(16)17/h2-9,17-20H,10-11H2,1H3,(H,23,25)
InChIKeyPLZSOVNDISHIRD-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide?
The IUPAC name of N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide (CID 2960427) is N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide is CC(=O)NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.
What is the InChIKey of N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide?
The InChIKey is PLZSOVNDISHIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-12(25)23-10-11-24-21(26)19-17-13-6-2-3-7-14(13)18(20(19)22(24)27)16-9-5-4-8-15(16)17/h2-9,17-20H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide?
N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)ethyl]acetamide is sourced from PubChem (CID 2960427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).