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

C32H24N2O3 — CID 3097562

IUPACN-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(N3C(=O)C4C5c6ccccc6C(c6ccccc65)C4C3=O)cc2)cc1
InChIInChI=1S/C32H24N2O3/c1-18(35)33-21-14-10-19(11-15-21)20-12-16-22(17-13-20)34-31(36)29-27-23-6-2-3-7-24(23)28(30(29)32(34)37)26-9-5-4-8-25(26)27/h2-17,27-30H,1H3,(H,33,35)
InChIKeyBZKJTPAATZGWNI-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.71
Rot. Bonds3

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

N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide (PubChem CID 3097562) has the molecular formula C32H24N2O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide
PubChem CID3097562
Molecular FormulaC32H24N2O3
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC NameN-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(N3C(=O)C4C5c6ccccc6C(c6ccccc65)C4C3=O)cc2)cc1
InChIInChI=1S/C32H24N2O3/c1-18(35)33-21-14-10-19(11-15-21)20-12-16-22(17-13-20)34-31(36)29-27-23-6-2-3-7-24(23)28(30(29)32(34)37)26-9-5-4-8-25(26)27/h2-17,27-30H,1H3,(H,33,35)
InChIKeyBZKJTPAATZGWNI-UHFFFAOYSA-N
XLogP5.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide (CID 3097562) is N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(N3C(=O)C4C5c6ccccc6C(c6ccccc65)C4C3=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide?
The InChIKey is BZKJTPAATZGWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O3/c1-18(35)33-21-14-10-19(11-15-21)20-12-16-22(17-13-20)34-31(36)29-27-23-6-2-3-7-24(23)28(30(29)32(34)37)26-9-5-4-8-25(26)27/h2-17,27-30H,1H3,(H,33,35).
What are the key properties of N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide?
N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 3097562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).