N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide

C17H20N2O3 — CID 2227998

IUPACN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
InChIKeyPKJLQNZKQMNHAM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.96
Rot. Bonds3

About N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 2227998) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID2227998
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
InChIKeyPKJLQNZKQMNHAM-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.96
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-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide (CID 2227998) is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is PKJLQNZKQMNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide?
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 2227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).