N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide

C16H18N2O3 — CID 976814

IUPACN-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C16H18N2O3/c1-18-15(20)12-8-7-10(9-13(12)16(18)21)14(19)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19)
InChIKeyGHTVXXFNLYZLDX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds2

About N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 976814) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID976814
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C16H18N2O3/c1-18-15(20)12-8-7-10(9-13(12)16(18)21)14(19)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19)
InChIKeyGHTVXXFNLYZLDX-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 976814) is N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O.
What is the InChIKey of N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GHTVXXFNLYZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-15(20)12-8-7-10(9-13(12)16(18)21)14(19)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 976814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).