N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide

C18H22N2O3 — CID 1332678

IUPACN-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C18H22N2O3/c1-2-10-20-17(22)14-9-8-12(11-15(14)18(20)23)16(21)19-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,19,21)
InChIKeyAZCWZALZHANVKN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.76
Rot. Bonds4

About N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide

N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 1332678) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID1332678
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C18H22N2O3/c1-2-10-20-17(22)14-9-8-12(11-15(14)18(20)23)16(21)19-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,19,21)
InChIKeyAZCWZALZHANVKN-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.76
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-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 1332678) is N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O.
What is the InChIKey of N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is AZCWZALZHANVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-10-20-17(22)14-9-8-12(11-15(14)18(20)23)16(21)19-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 1332678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).