3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

C17H18N2O5 — CID 6911462

IUPAC3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O5/c1-22-14-9-16(24-3)15(23-2)8-12(14)10-18-19-17(21)11-5-4-6-13(20)7-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyBABOFVFQKKAKCO-VCHYOVAHSA-N
MW330.34 g/mol
LogP2.18
Rot. Bonds6

About 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6911462) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID6911462
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O5/c1-22-14-9-16(24-3)15(23-2)8-12(14)10-18-19-17(21)11-5-4-6-13(20)7-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyBABOFVFQKKAKCO-VCHYOVAHSA-N
XLogP2.18
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
3-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135673815
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 6911462) is 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BABOFVFQKKAKCO-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-14-9-16(24-3)15(23-2)8-12(14)10-18-19-17(21)11-5-4-6-13(20)7-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+.
What are the key properties of 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 330.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).