4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid

C19H21N3O7 — CID 163326318

IUPAC4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H19N3O3.C2H2O4/c1-11(15-9-8-14(22-2)10-16(15)23-3)19-20-17(21)12-4-6-13(18)7-5-12;3-1(4)2(5)6/h4-10H,18H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)/b19-11-;
InChIKeyAUFHIUPYVYPPDP-XHFAFUTOSA-N
MW403.39 g/mol
LogP1.60
Rot. Bonds5

About 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid

4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid (PubChem CID 163326318) has the molecular formula C19H21N3O7 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
PubChem CID163326318
Molecular FormulaC19H21N3O7
Molecular Weight403.39 g/mol
Exact Mass403.14
IUPAC Name4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H19N3O3.C2H2O4/c1-11(15-9-8-14(22-2)10-16(15)23-3)19-20-17(21)12-4-6-13(18)7-5-12;3-1(4)2(5)6/h4-10H,18H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)/b19-11-;
InChIKeyAUFHIUPYVYPPDP-XHFAFUTOSA-N
XLogP1.60
TPSA160.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid
CID 171151393
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4507808
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N-[1-(4-ethylphenyl)ethylideneamino]-2,4-dimethoxybenzamide
CID 4224310
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid?
The IUPAC name of 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid (CID 163326318) is 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid.
What is the SMILES notation for 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid?
The canonical SMILES for 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid is COc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid?
The InChIKey is AUFHIUPYVYPPDP-XHFAFUTOSA-N. The full InChI is InChI=1S/C17H19N3O3.C2H2O4/c1-11(15-9-8-14(22-2)10-16(15)23-3)19-20-17(21)12-4-6-13(18)7-5-12;3-1(4)2(5)6/h4-10H,18H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)/b19-11-;.
What are the key properties of 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid?
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid has a molecular weight of 403.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid is sourced from PubChem (CID 163326318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).