N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide

C17H17N3O5 — CID 135515660

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H17N3O5/c1-24-13-5-3-4-12(9-13)19-16(22)17(23)20-18-10-11-6-7-14(21)15(8-11)25-2/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+
InChIKeyDMEAFQLAJYTGCL-VCHYOVAHSA-N
MW343.34 g/mol
LogP1.50
Rot. Bonds5

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide (PubChem CID 135515660) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
PubChem CID135515660
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C17H17N3O5/c1-24-13-5-3-4-12(9-13)19-16(22)17(23)20-18-10-11-6-7-14(21)15(8-11)25-2/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+
InChIKeyDMEAFQLAJYTGCL-VCHYOVAHSA-N
XLogP1.50
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide (CID 135515660) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c1.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The InChIKey is DMEAFQLAJYTGCL-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-13-5-3-4-12(9-13)19-16(22)17(23)20-18-10-11-6-7-14(21)15(8-11)25-2/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide has a molecular weight of 343.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 135515660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).