N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

C17H18N2O5 — CID 135738409

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O5/c1-22-14-8-12(9-15(23-2)16(14)24-3)17(21)19-18-10-11-4-6-13(20)7-5-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyHFXTWISSQFHWEF-VCHYOVAHSA-N
MW330.34 g/mol
LogP2.18
Rot. Bonds6

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 135738409) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID135738409
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O5/c1-22-14-8-12(9-15(23-2)16(14)24-3)17(21)19-18-10-11-4-6-13(20)7-5-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyHFXTWISSQFHWEF-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': 'hzone_phenol_B(215)', '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

N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6162958
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide
CID 3342821
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (CID 135738409) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is HFXTWISSQFHWEF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-14-8-12(9-15(23-2)16(14)24-3)17(21)19-18-10-11-4-6-13(20)7-5-11/h4-10,20H,1-3H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide 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 N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 135738409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).