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

C30H22N2O8 — CID 154128556

IUPAC2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
SMILESO=C(Cc1cc(O)ccc1O)Nc1ccc(NC(=O)Cc2cc(O)ccc2O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C30H22N2O8/c33-17-5-9-23(35)15(11-17)13-25(37)31-21-7-8-22(32-26(38)14-16-12-18(34)6-10-24(16)36)28-27(21)29(39)19-3-1-2-4-20(19)30(28)40/h1-12,33-36H,13-14H2,(H,31,37)(H,32,38)
InChIKeyTXNVBWIDCSIYEC-UHFFFAOYSA-N
MW538.51 g/mol
LogP3.65
Rot. Bonds6

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

2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide (PubChem CID 154128556) has the molecular formula C30H22N2O8 and a molecular weight of 538.51 g/mol. Its IUPAC name is 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
PubChem CID154128556
Molecular FormulaC30H22N2O8
Molecular Weight538.51 g/mol
Exact Mass538.14
IUPAC Name2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
SMILESO=C(Cc1cc(O)ccc1O)Nc1ccc(NC(=O)Cc2cc(O)ccc2O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C30H22N2O8/c33-17-5-9-23(35)15(11-17)13-25(37)31-21-7-8-22(32-26(38)14-16-12-18(34)6-10-24(16)36)28-27(21)29(39)19-3-1-2-4-20(19)30(28)40/h1-12,33-36H,13-14H2,(H,31,37)(H,32,38)
InChIKeyTXNVBWIDCSIYEC-UHFFFAOYSA-N
XLogP3.65
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.51
LogP ≤ 53.65
H-Bond Donors ≤ 56
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

1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione
CID 154095434
2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
N-(2-fluoro-4-hydroxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740962
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 18162351
N-[4-[4-[(2-iodoacetyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]propanamide
CID 89062106
2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide
CID 131978402
2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
CID 10402224
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]butanamide
CID 71188680
N-[4-[9,10-dioxo-4-[[2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]anthracen-1-yl]-9,10-dioxoanthracen-1-yl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 70882669
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide?
The IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide (CID 154128556) is 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide.
What is the SMILES notation for 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide?
The canonical SMILES for 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide is O=C(Cc1cc(O)ccc1O)Nc1ccc(NC(=O)Cc2cc(O)ccc2O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide?
The InChIKey is TXNVBWIDCSIYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O8/c33-17-5-9-23(35)15(11-17)13-25(37)31-21-7-8-22(32-26(38)14-16-12-18(34)6-10-24(16)36)28-27(21)29(39)19-3-1-2-4-20(19)30(28)40/h1-12,33-36H,13-14H2,(H,31,37)(H,32,38).
What are the key properties of 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide?
2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide has a molecular weight of 538.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide is sourced from PubChem (CID 154128556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).