4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide

C22H24N4O4 — CID 102155792

IUPAC4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
SMILESNCCCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCCN)c1C2=O
InChIInChI=1S/C22H24N4O4/c23-11-3-9-17(27)25-15-7-1-5-13-19(15)22(30)14-6-2-8-16(20(14)21(13)29)26-18(28)10-4-12-24/h1-2,5-8H,3-4,9-12,23-24H2,(H,25,27)(H,26,28)
InChIKeyBTQOQJXLODIITF-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.82
Rot. Bonds8

About 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide

4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide (PubChem CID 102155792) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
PubChem CID102155792
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
SMILESNCCCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCCN)c1C2=O
InChIInChI=1S/C22H24N4O4/c23-11-3-9-17(27)25-15-7-1-5-13-19(15)22(30)14-6-2-8-16(20(14)21(13)29)26-18(28)10-4-12-24/h1-2,5-8H,3-4,9-12,23-24H2,(H,25,27)(H,26,28)
InChIKeyBTQOQJXLODIITF-UHFFFAOYSA-N
XLogP1.82
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 102155791
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide?
The IUPAC name of 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide (CID 102155792) is 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide.
What is the SMILES notation for 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide?
The canonical SMILES for 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide is NCCCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCCN)c1C2=O.
What is the InChIKey of 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide?
The InChIKey is BTQOQJXLODIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c23-11-3-9-17(27)25-15-7-1-5-13-19(15)22(30)14-6-2-8-16(20(14)21(13)29)26-18(28)10-4-12-24/h1-2,5-8H,3-4,9-12,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide?
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide has a molecular weight of 408.46 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide is sourced from PubChem (CID 102155792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).