N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide

C22H24N4O8 — CID 10412525

IUPACN-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1ccc(NC(=O)CNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C22H24N4O8/c27-7-5-23-9-15(31)25-11-1-2-12(26-16(32)10-24-6-8-28)18-17(11)21(33)19-13(29)3-4-14(30)20(19)22(18)34/h1-4,23-24,27-30H,5-10H2,(H,25,31)(H,26,32)
InChIKeyGUCSRQGDZMRKAI-UHFFFAOYSA-N
MW472.45 g/mol
LogP-1.09
Rot. Bonds10

About N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide

N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide (PubChem CID 10412525) has the molecular formula C22H24N4O8 and a molecular weight of 472.45 g/mol. Its IUPAC name is N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

Compound NameN-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide
PubChem CID10412525
Molecular FormulaC22H24N4O8
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC NameN-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1ccc(NC(=O)CNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C22H24N4O8/c27-7-5-23-9-15(31)25-11-1-2-12(26-16(32)10-24-6-8-28)18-17(11)21(33)19-13(29)3-4-14(30)20(19)22(18)34/h1-4,23-24,27-30H,5-10H2,(H,25,31)(H,26,32)
InChIKeyGUCSRQGDZMRKAI-UHFFFAOYSA-N
XLogP-1.09
TPSA197.32 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 5-1.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide?
The IUPAC name of N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide (CID 10412525) is N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide.
What is the SMILES notation for N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide?
The canonical SMILES for N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide is O=C(CNCCO)Nc1ccc(NC(=O)CNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O.
What is the InChIKey of N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide?
The InChIKey is GUCSRQGDZMRKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O8/c27-7-5-23-9-15(31)25-11-1-2-12(26-16(32)10-24-6-8-28)18-17(11)21(33)19-13(29)3-4-14(30)20(19)22(18)34/h1-4,23-24,27-30H,5-10H2,(H,25,31)(H,26,32).
What are the key properties of N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide?
N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide has a molecular weight of 472.45 g/mol, XLogP of -1.09, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 10412525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).