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

C22H24N4O6 — CID 70800134

IUPAC2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(=O)CN(C)C)c1C2=O
InChIInChI=1S/C22H24N4O6/c1-25(2)9-15(29)23-11-5-7-13(27)19-17(11)21(31)20-14(28)8-6-12(18(20)22(19)32)24-16(30)10-26(3)4/h5-8,27-28H,9-10H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyIPZPIOBFPYDPPN-UHFFFAOYSA-N
MW440.46 g/mol
LogP0.87
Rot. Bonds6

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

2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide (PubChem CID 70800134) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide
PubChem CID70800134
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(=O)CN(C)C)c1C2=O
InChIInChI=1S/C22H24N4O6/c1-25(2)9-15(29)23-11-5-7-13(27)19-17(11)21(31)20-14(28)8-6-12(18(20)22(19)32)24-16(30)10-26(3)4/h5-8,27-28H,9-10H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyIPZPIOBFPYDPPN-UHFFFAOYSA-N
XLogP0.87
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide
CID 10412525
N-[4,5,8-tris(butanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 91745988
1,4-bis[2-(dimethylamino)propylamino]-5,8-dihydroxyanthracene-9,10-dione
CID 122197323
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
CID 130498541
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 154128556
CID 175981713
CID 175981713
2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide
CID 166810201
1,4-dihydroxy-5,8-bis[1-(methylamino)ethylamino]anthracene-9,10-dione
CID 88725997
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
CID 168521728

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide (CID 70800134) is 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide is CN(C)CC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(=O)CN(C)C)c1C2=O.
What is the InChIKey of 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide?
The InChIKey is IPZPIOBFPYDPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-25(2)9-15(29)23-11-5-7-13(27)19-17(11)21(31)20-14(28)8-6-12(18(20)22(19)32)24-16(30)10-26(3)4/h5-8,27-28H,9-10H2,1-4H3,(H,23,29)(H,24,30).
What are the key properties of 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide?
2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide has a molecular weight of 440.46 g/mol, XLogP of 0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide is sourced from PubChem (CID 70800134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).