2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide

C18H22N2O3 — CID 25163224

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O3/c1-11-7-3-6-10-15(11)19-16(21)12(2)20-17(22)13-8-4-5-9-14(13)18(20)23/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyWUZUCOWLDUAZKC-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.37
Rot. Bonds3

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

2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide (PubChem CID 25163224) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide
PubChem CID25163224
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O3/c1-11-7-3-6-10-15(11)19-16(21)12(2)20-17(22)13-8-4-5-9-14(13)18(20)23/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyWUZUCOWLDUAZKC-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.37
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 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide (CID 25163224) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is WUZUCOWLDUAZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-7-3-6-10-15(11)19-16(21)12(2)20-17(22)13-8-4-5-9-14(13)18(20)23/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 25163224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).