N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide

C18H20N2O6 — CID 4047183

IUPACN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN=C(C)c2ccc(O)cc2O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6/c1-10(13-6-5-12(21)9-14(13)22)19-20-18(23)11-7-15(24-2)17(26-4)16(8-11)25-3/h5-9,21-22H,1-4H3,(H,20,23)
InChIKeyFHOSYRKDIMZDRU-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.28
Rot. Bonds6

About N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide

N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 4047183) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID4047183
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN=C(C)c2ccc(O)cc2O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6/c1-10(13-6-5-12(21)9-14(13)22)19-20-18(23)11-7-15(24-2)17(26-4)16(8-11)25-3/h5-9,21-22H,1-4H3,(H,20,23)
InChIKeyFHOSYRKDIMZDRU-UHFFFAOYSA-N
XLogP2.28
TPSA109.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
3-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 135418721
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
4-[(2,6-dibromo-4-methylphenoxy)methyl]-N-[1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 3661335
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3537672
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide (CID 4047183) is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NN=C(C)c2ccc(O)cc2O)cc(OC)c1OC.
What is the InChIKey of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is FHOSYRKDIMZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-10(13-6-5-12(21)9-14(13)22)19-20-18(23)11-7-15(24-2)17(26-4)16(8-11)25-3/h5-9,21-22H,1-4H3,(H,20,23).
What are the key properties of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide?
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).