N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide

C33H24N2O10 — CID 146532707

IUPACN-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
SMILESCC(C)(c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3O)c1
InChIInChI=1S/C33H24N2O10/c1-33(2,17-5-9-25(36)23(13-17)34-27(38)15-3-7-19-21(11-15)31(42)44-29(19)40)18-6-10-26(37)24(14-18)35-28(39)16-4-8-20-22(12-16)32(43)45-30(20)41/h3-14,29,36-37,40H,1-2H3,(H,34,38)(H,35,39)
InChIKeySHQPHESSHHNEJF-UHFFFAOYSA-N
MW608.56 g/mol
LogP4.40
Rot. Bonds6

About N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide

N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide (PubChem CID 146532707) has the molecular formula C33H24N2O10 and a molecular weight of 608.56 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
PubChem CID146532707
Molecular FormulaC33H24N2O10
Molecular Weight608.56 g/mol
Exact Mass608.14
IUPAC NameN-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
SMILESCC(C)(c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3O)c1
InChIInChI=1S/C33H24N2O10/c1-33(2,17-5-9-25(36)23(13-17)34-27(38)15-3-7-19-21(11-15)31(42)44-29(19)40)18-6-10-26(37)24(14-18)35-28(39)16-4-8-20-22(12-16)32(43)45-30(20)41/h3-14,29,36-37,40H,1-2H3,(H,34,38)(H,35,39)
InChIKeySHQPHESSHHNEJF-UHFFFAOYSA-N
XLogP4.40
TPSA188.56 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.56
LogP ≤ 54.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
CID 59812368
N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
CID 146081814
3-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]benzoic acid
CID 89484684
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-[4-[4-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-2,5-difluorophenyl]-2,5-difluorophenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
CID 166171291
N-[4-[4-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
CID 72713554
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
1-N,3-N-bis[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
CID 58868378
N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoacetyl]-2-benzofuran-1,3-dione
CID 118399224

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide (CID 146532707) is N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide is CC(C)(c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(NC(=O)c2ccc3c(c2)C(=O)OC3O)c1.
What is the InChIKey of N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide?
The InChIKey is SHQPHESSHHNEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O10/c1-33(2,17-5-9-25(36)23(13-17)34-27(38)15-3-7-19-21(11-15)31(42)44-29(19)40)18-6-10-26(37)24(14-18)35-28(39)16-4-8-20-22(12-16)32(43)45-30(20)41/h3-14,29,36-37,40H,1-2H3,(H,34,38)(H,35,39).
What are the key properties of N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide?
N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide has a molecular weight of 608.56 g/mol, XLogP of 4.40, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-[4-hydroxy-3-[(1-hydroxy-3-oxo-1H-2-benzofuran-5-carbonyl)amino]phenyl]propan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide is sourced from PubChem (CID 146532707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).