1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

C17H17N3O5 — CID 44506519

IUPAC1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCOc1cccc(OC)c1/C=N/NC(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C17H17N3O5/c1-24-14-7-4-8-15(25-2)13(14)10-18-19-16(21)11-5-3-6-12(9-11)17(22)20-23/h3-10,23H,1-2H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyOJOQJZKMWHBPFB-VCHYOVAHSA-N
MW343.34 g/mol
LogP1.59
Rot. Bonds6

About 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 44506519) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID44506519
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCOc1cccc(OC)c1/C=N/NC(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C17H17N3O5/c1-24-14-7-4-8-15(25-2)13(14)10-18-19-16(21)11-5-3-6-12(9-11)17(22)20-23/h3-10,23H,1-2H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyOJOQJZKMWHBPFB-VCHYOVAHSA-N
XLogP1.59
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 88862108
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 136793261
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 44506519) is 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is COc1cccc(OC)c1/C=N/NC(=O)c1cccc(C(=O)NO)c1.
What is the InChIKey of 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is OJOQJZKMWHBPFB-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-14-7-4-8-15(25-2)13(14)10-18-19-16(21)11-5-3-6-12(9-11)17(22)20-23/h3-10,23H,1-2H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 343.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 44506519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).