N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-4-yl)acetamide

C20H16N2O3 — CID 155554187

IUPACN-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-4-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1c3ccccc3C2C2C(=O)NC(=O)C12
InChIInChI=1S/C20H16N2O3/c1-9(23)21-10-6-7-13-14(8-10)16-12-5-3-2-4-11(12)15(13)17-18(16)20(25)22-19(17)24/h2-8,15-18H,1H3,(H,21,23)(H,22,24,25)
InChIKeyGUUBZYJUXOVCNT-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-4-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-4-yl)acetamide (PubChem CID 155554187) 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-4-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-4-yl)acetamide
PubChem CID155554187
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-4-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1c3ccccc3C2C2C(=O)NC(=O)C12
InChIInChI=1S/C20H16N2O3/c1-9(23)21-10-6-7-13-14(8-10)16-12-5-3-2-4-11(12)15(13)17-18(16)20(25)22-19(17)24/h2-8,15-18H,1H3,(H,21,23)(H,22,24,25)
InChIKeyGUUBZYJUXOVCNT-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-4-yl)acetamide with MolForge

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Related Compounds

N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
CID 171129746
N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide
CID 71452564
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
CID 22122746
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
CID 91277037
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide
CID 18941436
N-(3-methylphenyl)acetamide
CID 10843
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434

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-4-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-4-yl)acetamide (CID 155554187) 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-4-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-4-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-4-yl)acetamide is CC(=O)Nc1ccc2c(c1)C1c3ccccc3C2C2C(=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-4-yl)acetamide?
The InChIKey is GUUBZYJUXOVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-9(23)21-10-6-7-13-14(8-10)16-12-5-3-2-4-11(12)15(13)17-18(16)20(25)22-19(17)24/h2-8,15-18H,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-4-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-4-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-4-yl)acetamide is sourced from PubChem (CID 155554187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).