N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide

C29H26N2O6 — CID 1320511

IUPACN-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(OC)cc4)c(O)c3)cc2O)cc1
InChIInChI=1S/C29H26N2O6/c1-36-22-9-5-20(6-10-22)28(34)30-24-13-3-18(16-26(24)32)15-19-4-14-25(27(33)17-19)31-29(35)21-7-11-23(37-2)12-8-21/h3-14,16-17,32-33H,15H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyVMJLEGWNOZYHPX-UHFFFAOYSA-N
MW498.54 g/mol
LogP5.21
Rot. Bonds8

About N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide

N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide (PubChem CID 1320511) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide
PubChem CID1320511
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC NameN-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(OC)cc4)c(O)c3)cc2O)cc1
InChIInChI=1S/C29H26N2O6/c1-36-22-9-5-20(6-10-22)28(34)30-24-13-3-18(16-26(24)32)15-19-4-14-25(27(33)17-19)31-29(35)21-7-11-23(37-2)12-8-21/h3-14,16-17,32-33H,15H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyVMJLEGWNOZYHPX-UHFFFAOYSA-N
XLogP5.21
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide (CID 1320511) is N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(OC)cc4)c(O)c3)cc2O)cc1.
What is the InChIKey of N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is VMJLEGWNOZYHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-36-22-9-5-20(6-10-22)28(34)30-24-13-3-18(16-26(24)32)15-19-4-14-25(27(33)17-19)31-29(35)21-7-11-23(37-2)12-8-21/h3-14,16-17,32-33H,15H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide?
N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 498.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-[[3-hydroxy-4-[(4-methoxybenzoyl)amino]phenyl]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1320511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).