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)-N-(2-hydroxyphenyl)acetamide

C26H20N2O4 — CID 4197157

IUPAC2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)Nc1ccccc1O
InChIInChI=1S/C26H20N2O4/c29-19-12-6-5-11-18(19)27-20(30)13-28-25(31)23-21-14-7-1-2-8-15(14)22(24(23)26(28)32)17-10-4-3-9-16(17)21/h1-12,21-24,29H,13H2,(H,27,30)
InChIKeyNCHYGUASUCAENU-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.22
Rot. Bonds3

About 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)-N-(2-hydroxyphenyl)acetamide

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)-N-(2-hydroxyphenyl)acetamide (PubChem CID 4197157) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 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)-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
PubChem CID4197157
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)Nc1ccccc1O
InChIInChI=1S/C26H20N2O4/c29-19-12-6-5-11-18(19)27-20(30)13-28-25(31)23-21-14-7-1-2-8-15(14)22(24(23)26(28)32)17-10-4-3-9-16(17)21/h1-12,21-24,29H,13H2,(H,27,30)
InChIKeyNCHYGUASUCAENU-UHFFFAOYSA-N
XLogP3.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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)-N-(2-hydroxyphenyl)acetamide with MolForge

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Related Compounds

2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-hydroxyphenyl)acetamide
CID 98139003
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-hydroxyphenyl)acetamide
CID 51531541
2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-methoxyphenyl)acetamide
CID 1472554
methyl 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 1472539
N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 98186401
2-[[2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetyl]amino]benzoic acid
CID 6567252
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-(2-hydroxyphenyl)acetamide
CID 4500800
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 124713290
17-(anilinomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3098047
3-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]propanoic acid
CID 692911
2-[[2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetyl]amino]benzoate
CID 11894243

Frequently Asked Questions

What is the IUPAC name of 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)-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 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)-N-(2-hydroxyphenyl)acetamide (CID 4197157) is 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)-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 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)-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 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)-N-(2-hydroxyphenyl)acetamide is O=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)Nc1ccccc1O.
What is the InChIKey of 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)-N-(2-hydroxyphenyl)acetamide?
The InChIKey is NCHYGUASUCAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c29-19-12-6-5-11-18(19)27-20(30)13-28-25(31)23-21-14-7-1-2-8-15(14)22(24(23)26(28)32)17-10-4-3-9-16(17)21/h1-12,21-24,29H,13H2,(H,27,30).
What are the key properties of 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)-N-(2-hydroxyphenyl)acetamide?
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)-N-(2-hydroxyphenyl)acetamide has a molecular weight of 424.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 4197157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).