1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide

C24H24N6O2 — CID 4998105

IUPAC1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1
InChIInChI=1S/C24H24N6O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,25-26H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUFAJOHDYDNVRII-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.16
Rot. Bonds6

About 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 4998105) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
PubChem CID4998105
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1
InChIInChI=1S/C24H24N6O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,25-26H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUFAJOHDYDNVRII-UHFFFAOYSA-N
XLogP3.16
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135797119
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide (CID 4998105) is 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide is CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1.
What is the InChIKey of 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is UFAJOHDYDNVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,25-26H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4998105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).