1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide

C24H22N4O4 — CID 135656933

IUPAC1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
SMILESC/C(=N\NC(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2O)c1)c1ccccc1O
InChIInChI=1S/C24H22N4O4/c1-15(19-10-3-5-12-21(19)29)25-27-23(31)17-8-7-9-18(14-17)24(32)28-26-16(2)20-11-4-6-13-22(20)30/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32)/b25-15+,26-16+
InChIKeyZXCGXJQEBLYHNS-RYQLWAFASA-N
MW430.46 g/mol
LogP3.41
Rot. Bonds6

About 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide

1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide (PubChem CID 135656933) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
PubChem CID135656933
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
SMILESC/C(=N\NC(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2O)c1)c1ccccc1O
InChIInChI=1S/C24H22N4O4/c1-15(19-10-3-5-12-21(19)29)25-27-23(31)17-8-7-9-18(14-17)24(32)28-26-16(2)20-11-4-6-13-22(20)30/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32)/b25-15+,26-16+
InChIKeyZXCGXJQEBLYHNS-RYQLWAFASA-N
XLogP3.41
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide (CID 135656933) is 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide is C/C(=N\NC(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2O)c1)c1ccccc1O.
What is the InChIKey of 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide?
The InChIKey is ZXCGXJQEBLYHNS-RYQLWAFASA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15(19-10-3-5-12-21(19)29)25-27-23(31)17-8-7-9-18(14-17)24(32)28-26-16(2)20-11-4-6-13-22(20)30/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32)/b25-15+,26-16+.
What are the key properties of 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide?
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 135656933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).