1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide

C32H34N4O2 — CID 4994656

IUPAC1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N4O2/c37-31(35-33-29-19-15-25(16-20-29)23-7-3-1-4-8-23)27-11-13-28(14-12-27)32(38)36-34-30-21-17-26(18-22-30)24-9-5-2-6-10-24/h1-14,25-26H,15-22H2,(H,35,37)(H,36,38)/b33-29-,34-30-
InChIKeyKOVAUFBOUAEZQE-YIVISXGPSA-N
MW506.65 g/mol
LogP6.57
Rot. Bonds6

About 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide (PubChem CID 4994656) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
PubChem CID4994656
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N4O2/c37-31(35-33-29-19-15-25(16-20-29)23-7-3-1-4-8-23)27-11-13-28(14-12-27)32(38)36-34-30-21-17-26(18-22-30)24-9-5-2-6-10-24/h1-14,25-26H,15-22H2,(H,35,37)(H,36,38)/b33-29-,34-30-
InChIKeyKOVAUFBOUAEZQE-YIVISXGPSA-N
XLogP6.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide (CID 4994656) is 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide is O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide?
The InChIKey is KOVAUFBOUAEZQE-YIVISXGPSA-N. The full InChI is InChI=1S/C32H34N4O2/c37-31(35-33-29-19-15-25(16-20-29)23-7-3-1-4-8-23)27-11-13-28(14-12-27)32(38)36-34-30-21-17-26(18-22-30)24-9-5-2-6-10-24/h1-14,25-26H,15-22H2,(H,35,37)(H,36,38)/b33-29-,34-30-.
What are the key properties of 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide has a molecular weight of 506.65 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).