4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide

C23H32N2O4 — CID 597836

IUPAC4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESO=C(NC1CCCCC1)C1OC(c2ccccc2)OC1C(=O)NC1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(24-17-12-6-2-7-13-17)19-20(22(27)25-18-14-8-3-9-15-18)29-23(28-19)16-10-4-1-5-11-16/h1,4-5,10-11,17-20,23H,2-3,6-9,12-15H2,(H,24,26)(H,25,27)
InChIKeyCHTQJBSPBRYKPI-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.37
Rot. Bonds5

About 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide

4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 597836) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID597836
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESO=C(NC1CCCCC1)C1OC(c2ccccc2)OC1C(=O)NC1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(24-17-12-6-2-7-13-17)19-20(22(27)25-18-14-8-3-9-15-18)29-23(28-19)16-10-4-1-5-11-16/h1,4-5,10-11,17-20,23H,2-3,6-9,12-15H2,(H,24,26)(H,25,27)
InChIKeyCHTQJBSPBRYKPI-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide (CID 597836) is 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide is O=C(NC1CCCCC1)C1OC(c2ccccc2)OC1C(=O)NC1CCCCC1.
What is the InChIKey of 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is CHTQJBSPBRYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21(24-17-12-6-2-7-13-17)19-20(22(27)25-18-14-8-3-9-15-18)29-23(28-19)16-10-4-1-5-11-16/h1,4-5,10-11,17-20,23H,2-3,6-9,12-15H2,(H,24,26)(H,25,27).
What are the key properties of 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dicyclohexyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).