N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide

C28H25N3O4 — CID 60570782

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCC(=O)NC1=O
InChIInChI=1S/C28H25N3O4/c1-2-28(16-15-24(32)30-27(28)35)18-11-13-19(14-12-18)29-25(33)17-31-22-9-5-3-7-20(22)26(34)21-8-4-6-10-23(21)31/h3-14H,2,15-17H2,1H3,(H,29,33)(H,30,32,35)
InChIKeyIHBBJHFBODNRLO-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.88
Rot. Bonds5

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 60570782) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID60570782
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCC(=O)NC1=O
InChIInChI=1S/C28H25N3O4/c1-2-28(16-15-24(32)30-27(28)35)18-11-13-19(14-12-18)29-25(33)17-31-22-9-5-3-7-20(22)26(34)21-8-4-6-10-23(21)31/h3-14H,2,15-17H2,1H3,(H,29,33)(H,30,32,35)
InChIKeyIHBBJHFBODNRLO-UHFFFAOYSA-N
XLogP3.88
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 60570782) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide is CCC1(c2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is IHBBJHFBODNRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-2-28(16-15-24(32)30-27(28)35)18-11-13-19(14-12-18)29-25(33)17-31-22-9-5-3-7-20(22)26(34)21-8-4-6-10-23(21)31/h3-14H,2,15-17H2,1H3,(H,29,33)(H,30,32,35).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 60570782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).