3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide

C28H36N4O4 — CID 10767451

IUPAC3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN(CC)CC)c1C2=O
InChIInChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyVJLWMFJSEUYNRS-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.80
Rot. Bonds12

About 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide

3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide (PubChem CID 10767451) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
PubChem CID10767451
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN(CC)CC)c1C2=O
InChIInChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyVJLWMFJSEUYNRS-UHFFFAOYSA-N
XLogP3.80
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide (CID 10767451) is 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide is CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN(CC)CC)c1C2=O.
What is the InChIKey of 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The InChIKey is VJLWMFJSEUYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide has a molecular weight of 492.62 g/mol, XLogP of 3.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[5-[3-(diethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide is sourced from PubChem (CID 10767451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).