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

C15H14N2O4 — CID 4056523

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-21-12-4-2-3-11(8-12)15(20)17-16-9-10-5-6-13(18)14(19)7-10/h2-9,18-19H,1H3,(H,17,20)
InChIKeyPUTAWVLRVNKAEP-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.87
Rot. Bonds4

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

N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 4056523) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID4056523
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-21-12-4-2-3-11(8-12)15(20)17-16-9-10-5-6-13(18)14(19)7-10/h2-9,18-19H,1H3,(H,17,20)
InChIKeyPUTAWVLRVNKAEP-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]-4-methoxybenzamide
CID 5065376
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide (CID 4056523) is N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)NN=Cc2ccc(O)c(O)c2)c1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is PUTAWVLRVNKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-4-2-3-11(8-12)15(20)17-16-9-10-5-6-13(18)14(19)7-10/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 4056523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).