2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide

C22H24N4O4 — CID 44568710

IUPAC2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN(C)C)ccc1C2=O
InChIInChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBQUQDCVNESTXAU-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.46
Rot. Bonds6

About 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide

2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide (PubChem CID 44568710) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
PubChem CID44568710
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN(C)C)ccc1C2=O
InChIInChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBQUQDCVNESTXAU-UHFFFAOYSA-N
XLogP1.46
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide (CID 44568710) is 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide is CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN(C)C)ccc1C2=O.
What is the InChIKey of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The InChIKey is BQUQDCVNESTXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[7-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide is sourced from PubChem (CID 44568710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).