2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide

C32H30N4O6 — CID 135525172

IUPAC2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(/C=N/CC/N=C/c3cccc(C(=O)Nc4ccc(OC)cc4)c3O)c2O)cc1
InChIInChI=1S/C32H30N4O6/c1-41-25-13-9-23(10-14-25)35-31(39)27-7-3-5-21(29(27)37)19-33-17-18-34-20-22-6-4-8-28(30(22)38)32(40)36-24-11-15-26(42-2)16-12-24/h3-16,19-20,37-38H,17-18H2,1-2H3,(H,35,39)(H,36,40)/b33-19+,34-20+
InChIKeyMCLREUKHVQDFNE-ZXHXELASSA-N
MW566.61 g/mol
LogP5.16
Rot. Bonds11

About 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide

2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 135525172) has the molecular formula C32H30N4O6 and a molecular weight of 566.61 g/mol. Its IUPAC name is 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide
PubChem CID135525172
Molecular FormulaC32H30N4O6
Molecular Weight566.61 g/mol
Exact Mass566.22
IUPAC Name2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(/C=N/CC/N=C/c3cccc(C(=O)Nc4ccc(OC)cc4)c3O)c2O)cc1
InChIInChI=1S/C32H30N4O6/c1-41-25-13-9-23(10-14-25)35-31(39)27-7-3-5-21(29(27)37)19-33-17-18-34-20-22-6-4-8-28(30(22)38)32(40)36-24-11-15-26(42-2)16-12-24/h3-16,19-20,37-38H,17-18H2,1-2H3,(H,35,39)(H,36,40)/b33-19+,34-20+
InChIKeyMCLREUKHVQDFNE-ZXHXELASSA-N
XLogP5.16
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide 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

2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 1246601
N-(4-methoxyphenyl)dibenzofuran-1-carboxamide
CID 134956238
3-[2-[2-[2-[(3-carboxy-2-hydroxyphenyl)methylideneamino]ethylamino]ethylamino]ethyliminomethyl]-2-hydroxybenzoic acid
CID 136744167
[2-fluoro-3-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
CID 99738152
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide (CID 135525172) is 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(/C=N/CC/N=C/c3cccc(C(=O)Nc4ccc(OC)cc4)c3O)c2O)cc1.
What is the InChIKey of 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is MCLREUKHVQDFNE-ZXHXELASSA-N. The full InChI is InChI=1S/C32H30N4O6/c1-41-25-13-9-23(10-14-25)35-31(39)27-7-3-5-21(29(27)37)19-33-17-18-34-20-22-6-4-8-28(30(22)38)32(40)36-24-11-15-26(42-2)16-12-24/h3-16,19-20,37-38H,17-18H2,1-2H3,(H,35,39)(H,36,40)/b33-19+,34-20+.
What are the key properties of 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide?
2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 566.61 g/mol, XLogP of 5.16, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 135525172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).