N-acetyl-N-(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

C22H18N2O4 — CID 4555740

IUPACN-acetyl-N-(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
SMILESCC(=O)N(C(C)=O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H18N2O4/c1-11(25)23(12(2)26)24-21(27)19-17-13-7-3-4-8-14(13)18(20(19)22(24)28)16-10-6-5-9-15(16)17/h3-10,17-20H,1-2H3
InChIKeyIKFBVRKKVBVKEK-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.19
Rot. Bonds1

About N-acetyl-N-(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

N-acetyl-N-(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 (PubChem CID 4555740) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-acetyl-N-(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.

Molecular Properties

Compound NameN-acetyl-N-(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
PubChem CID4555740
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-acetyl-N-(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
SMILESCC(=O)N(C(C)=O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
InChIInChI=1S/C22H18N2O4/c1-11(25)23(12(2)26)24-21(27)19-17-13-7-3-4-8-14(13)18(20(19)22(24)28)16-10-6-5-9-15(16)17/h3-10,17-20H,1-2H3
InChIKeyIKFBVRKKVBVKEK-UHFFFAOYSA-N
XLogP2.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-acetyl-N-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(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?
The IUPAC name of N-acetyl-N-(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 4555740) is N-acetyl-N-(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.
What is the SMILES notation for N-acetyl-N-(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?
The canonical SMILES for N-acetyl-N-(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 is CC(=O)N(C(C)=O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.
What is the InChIKey of N-acetyl-N-(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?
The InChIKey is IKFBVRKKVBVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-11(25)23(12(2)26)24-21(27)19-17-13-7-3-4-8-14(13)18(20(19)22(24)28)16-10-6-5-9-15(16)17/h3-10,17-20H,1-2H3.
What are the key properties of N-acetyl-N-(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?
N-acetyl-N-(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 has a molecular weight of 374.40 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(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 is sourced from PubChem (CID 4555740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).