3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide

C24H28N4O6 — CID 102155791

IUPAC3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
SMILESO=C(CCNCCO)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCNCCO)c1C2=O
InChIInChI=1S/C24H28N4O6/c29-13-11-25-9-7-19(31)27-17-5-1-3-15-21(17)24(34)16-4-2-6-18(22(16)23(15)33)28-20(32)8-10-26-12-14-30/h1-6,25-26,29-30H,7-14H2,(H,27,31)(H,28,32)
InChIKeyQWLUVSMWNRHNLO-UHFFFAOYSA-N
MW468.51 g/mol
LogP0.28
Rot. Bonds12

About 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide

3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide (PubChem CID 102155791) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
PubChem CID102155791
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
SMILESO=C(CCNCCO)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCNCCO)c1C2=O
InChIInChI=1S/C24H28N4O6/c29-13-11-25-9-7-19(31)27-17-5-1-3-15-21(17)24(34)16-4-2-6-18(22(16)23(15)33)28-20(32)8-10-26-12-14-30/h1-6,25-26,29-30H,7-14H2,(H,27,31)(H,28,32)
InChIKeyQWLUVSMWNRHNLO-UHFFFAOYSA-N
XLogP0.28
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 50.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropylamino)-N-[8-[3-(2-methylpropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 57403934
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-(2-hydroxyethyl)azanium
CID 7343695
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
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-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151686
3-chloro-N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-6-yl)propanamide
CID 10154483

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The IUPAC name of 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide (CID 102155791) is 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide.
What is the SMILES notation for 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The canonical SMILES for 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide is O=C(CCNCCO)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCNCCO)c1C2=O.
What is the InChIKey of 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
The InChIKey is QWLUVSMWNRHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c29-13-11-25-9-7-19(31)27-17-5-1-3-15-21(17)24(34)16-4-2-6-18(22(16)23(15)33)28-20(32)8-10-26-12-14-30/h1-6,25-26,29-30H,7-14H2,(H,27,31)(H,28,32).
What are the key properties of 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide?
3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide has a molecular weight of 468.51 g/mol, XLogP of 0.28, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide is sourced from PubChem (CID 102155791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).