N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide

C15H14N2O4 — CID 5065376

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-5-3-11(4-6-12)15(20)17-16-9-10-2-7-13(18)14(19)8-10/h2-9,18-19H,1H3,(H,17,20)
InChIKeyYRPGIAVCGJDFSF-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.87
Rot. Bonds4

About N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 5065376) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID5065376
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-5-3-11(4-6-12)15(20)17-16-9-10-2-7-13(18)14(19)8-10/h2-9,18-19H,1H3,(H,17,20)
InChIKeyYRPGIAVCGJDFSF-UHFFFAOYSA-N
XLogP1.87
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 5065376) is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)cc1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is YRPGIAVCGJDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-5-3-11(4-6-12)15(20)17-16-9-10-2-7-13(18)14(19)8-10/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 5065376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).