N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide

C16H18N2O3 — CID 3604482

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CCCCC3)c2C1=O
InChIInChI=1S/C16H18N2O3/c1-18-15(20)11-8-5-9-12(13(11)16(18)21)17-14(19)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,17,19)
InChIKeyWEOZVLMUNIPPLQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.43
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide (PubChem CID 3604482) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide
PubChem CID3604482
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide
SMILESCN1C(=O)c2cccc(NC(=O)C3CCCCC3)c2C1=O
InChIInChI=1S/C16H18N2O3/c1-18-15(20)11-8-5-9-12(13(11)16(18)21)17-14(19)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,17,19)
InChIKeyWEOZVLMUNIPPLQ-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.43
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-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide (CID 3604482) is N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide is CN1C(=O)c2cccc(NC(=O)C3CCCCC3)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide?
The InChIKey is WEOZVLMUNIPPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-15(20)11-8-5-9-12(13(11)16(18)21)17-14(19)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,17,19).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3604482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).