N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide

C15H16N2O3 — CID 833166

IUPACN-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C15H16N2O3/c18-13(10-6-2-1-3-7-10)16-17-14(19)11-8-4-5-9-12(11)15(17)20/h4-5,8-10H,1-3,6-7H2,(H,16,18)
InChIKeyPFFHRBUTQAWNFN-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide

N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide (PubChem CID 833166) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide
PubChem CID833166
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C15H16N2O3/c18-13(10-6-2-1-3-7-10)16-17-14(19)11-8-4-5-9-12(11)15(17)20/h4-5,8-10H,1-3,6-7H2,(H,16,18)
InChIKeyPFFHRBUTQAWNFN-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide (CID 833166) is N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide is O=C(NN1C(=O)c2ccccc2C1=O)C1CCCCC1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide?
The InChIKey is PFFHRBUTQAWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13(10-6-2-1-3-7-10)16-17-14(19)11-8-4-5-9-12(11)15(17)20/h4-5,8-10H,1-3,6-7H2,(H,16,18).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide?
N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 833166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).