3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide

C28H32N4O6 — CID 10815829

IUPAC3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCOCC3)c1C2=O
InChIInChI=1S/C28H32N4O6/c33-23(7-9-31-11-15-37-16-12-31)29-21-5-1-3-19-25(21)28(36)20-4-2-6-22(26(20)27(19)35)30-24(34)8-10-32-13-17-38-18-14-32/h1-6H,7-18H2,(H,29,33)(H,30,34)
InChIKeyXCXJDSJBAFIETK-UHFFFAOYSA-N
MW520.59 g/mol
LogP1.78
Rot. Bonds8

About 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide

3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide (PubChem CID 10815829) has the molecular formula C28H32N4O6 and a molecular weight of 520.59 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
PubChem CID10815829
Molecular FormulaC28H32N4O6
Molecular Weight520.59 g/mol
Exact Mass520.23
IUPAC Name3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCOCC3)c1C2=O
InChIInChI=1S/C28H32N4O6/c33-23(7-9-31-11-15-37-16-12-31)29-21-5-1-3-19-25(21)28(36)20-4-2-6-22(26(20)27(19)35)30-24(34)8-10-32-13-17-38-18-14-32/h1-6H,7-18H2,(H,29,33)(H,30,34)
InChIKeyXCXJDSJBAFIETK-UHFFFAOYSA-N
XLogP1.78
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
3-(4-methylmorpholin-4-ium-4-yl)-N-[5-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 10747944
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 135182847
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
N-(2-methyl-1H-indol-4-yl)-3-morpholin-4-ylpropanamide
CID 138457611
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 102155791
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide (CID 10815829) is 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide is O=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCOCC3)c1C2=O.
What is the InChIKey of 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide?
The InChIKey is XCXJDSJBAFIETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O6/c33-23(7-9-31-11-15-37-16-12-31)29-21-5-1-3-19-25(21)28(36)20-4-2-6-22(26(20)27(19)35)30-24(34)8-10-32-13-17-38-18-14-32/h1-6H,7-18H2,(H,29,33)(H,30,34).
What are the key properties of 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide?
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide has a molecular weight of 520.59 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide is sourced from PubChem (CID 10815829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).