2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C24H22N4O4 — CID 55731811

IUPAC2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H22N4O4/c1-14-7-8-16(22-27-25-13-32-22)12-20(14)26-21(29)15-9-10-18-19(11-15)24(31)28(23(18)30)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,26,29)
InChIKeyMRDUMAGESDZDPA-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.23
Rot. Bonds4

About 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55731811) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55731811
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H22N4O4/c1-14-7-8-16(22-27-25-13-32-22)12-20(14)26-21(29)15-9-10-18-19(11-15)24(31)28(23(18)30)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,26,29)
InChIKeyMRDUMAGESDZDPA-UHFFFAOYSA-N
XLogP4.23
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 55731811) is 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MRDUMAGESDZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-7-8-16(22-27-25-13-32-22)12-20(14)26-21(29)15-9-10-18-19(11-15)24(31)28(23(18)30)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,26,29).
What are the key properties of 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55731811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).