N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide

C18H20N2O6 — CID 139206905

IUPACN,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCc2cccc(OC)c2O)c1O
InChIInChI=1S/C18H20N2O6/c1-25-13-7-3-5-11(15(13)21)9-19-17(23)18(24)20-10-12-6-4-8-14(26-2)16(12)22/h3-8,21-22H,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPAGJGNGEKQRQLK-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.05
Rot. Bonds6

About N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide

N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide (PubChem CID 139206905) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
PubChem CID139206905
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCc2cccc(OC)c2O)c1O
InChIInChI=1S/C18H20N2O6/c1-25-13-7-3-5-11(15(13)21)9-19-17(23)18(24)20-10-12-6-4-8-14(26-2)16(12)22/h3-8,21-22H,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPAGJGNGEKQRQLK-UHFFFAOYSA-N
XLogP1.05
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide 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-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 155884619
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 9151041
methyl N-[2-(2-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 15659643
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67560329
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide (CID 139206905) is N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NCc2cccc(OC)c2O)c1O.
What is the InChIKey of N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide?
The InChIKey is PAGJGNGEKQRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-25-13-7-3-5-11(15(13)21)9-19-17(23)18(24)20-10-12-6-4-8-14(26-2)16(12)22/h3-8,21-22H,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide?
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide has a molecular weight of 360.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 139206905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).