14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide

C20H14N2O3 — CID 19349318

IUPAC14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c1-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C20H14N2O3/c21-19(23)13-9-10-14(20(22)24)18-12-6-2-4-8-16(12)25-15-7-3-1-5-11(15)17(13)18/h1-10H,(H2,21,23)(H2,22,24)
InChIKeyZWHHUBUFAIVIPK-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.32
Rot. Bonds2

About 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide (PubChem CID 19349318) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide.

Molecular Properties

Compound Name14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide
PubChem CID19349318
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c1-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C20H14N2O3/c21-19(23)13-9-10-14(20(22)24)18-12-6-2-4-8-16(12)25-15-7-3-1-5-11(15)17(13)18/h1-10H,(H2,21,23)(H2,22,24)
InChIKeyZWHHUBUFAIVIPK-UHFFFAOYSA-N
XLogP3.32
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide with MolForge

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Related Compounds

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9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
2-(2,6-dichlorophenyl)benzamide
CID 67032434
dimethyl 2-xanthen-9-ylidenepropanedioate
CID 15263203
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404

Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide?
The IUPAC name of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide (CID 19349318) is 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide.
What is the SMILES notation for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide?
The canonical SMILES for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide is NC(=O)c1ccc(C(N)=O)c2c1-c1ccccc1Oc1ccccc1-2.
What is the InChIKey of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide?
The InChIKey is ZWHHUBUFAIVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c21-19(23)13-9-10-14(20(22)24)18-12-6-2-4-8-16(12)25-15-7-3-1-5-11(15)17(13)18/h1-10H,(H2,21,23)(H2,22,24).
What are the key properties of 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide?
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide is sourced from PubChem (CID 19349318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).