2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

C15H18N2O2 — CID 5309879

IUPAC2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C15H18N2O2/c16-14(18)12-8-4-5-10-9-17(15(19)13(10)12)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H2,16,18)
InChIKeyAEDVPHAKDUNUHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds2

About 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 5309879) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID5309879
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C15H18N2O2/c16-14(18)12-8-4-5-10-9-17(15(19)13(10)12)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H2,16,18)
InChIKeyAEDVPHAKDUNUHG-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 5309879) is 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is AEDVPHAKDUNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-14(18)12-8-4-5-10-9-17(15(19)13(10)12)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H2,16,18).
What are the key properties of 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 5309879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).