N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide

C21H18N2O3 — CID 56824835

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CC=CCC1
InChIInChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)22-15-10-12-16(13-11-15)23-20(25)17-8-4-5-9-18(17)21(23)26/h1-2,4-5,8-14H,3,6-7H2,(H,22,24)
InChIKeyUDFOLDGYBWKGPH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.78
Rot. Bonds3

About N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 56824835) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID56824835
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CC=CCC1
InChIInChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)22-15-10-12-16(13-11-15)23-20(25)17-8-4-5-9-18(17)21(23)26/h1-2,4-5,8-14H,3,6-7H2,(H,22,24)
InChIKeyUDFOLDGYBWKGPH-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide (CID 56824835) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CC=CCC1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is UDFOLDGYBWKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)22-15-10-12-16(13-11-15)23-20(25)17-8-4-5-9-18(17)21(23)26/h1-2,4-5,8-14H,3,6-7H2,(H,22,24).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 56824835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).