4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide

C26H32N2O3 — CID 4131563

IUPAC4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H32N2O3/c29-24-14-8-7-13-23(24)27-25(30)19-15-17-20(18-16-19)26(31)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22,29H,1-6,9-12H2,(H,27,30)
InChIKeyMAAPERHHXNWMII-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.75
Rot. Bonds5

About 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide

4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 4131563) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide
PubChem CID4131563
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H32N2O3/c29-24-14-8-7-13-23(24)27-25(30)19-15-17-20(18-16-19)26(31)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22,29H,1-6,9-12H2,(H,27,30)
InChIKeyMAAPERHHXNWMII-UHFFFAOYSA-N
XLogP5.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide (CID 4131563) is 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccccc1O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is MAAPERHHXNWMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c29-24-14-8-7-13-23(24)27-25(30)19-15-17-20(18-16-19)26(31)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22,29H,1-6,9-12H2,(H,27,30).
What are the key properties of 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide?
4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dicyclohexyl-1-N-(2-hydroxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 4131563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).