N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide

C20H22N2O3 — CID 5309326

IUPACN-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O
InChIInChI=1S/C20H22N2O3/c1-3-11-22-19(24)15-10-9-14(12-16(15)20(22)25)18(23)21-17-8-6-5-7-13(17)4-2/h5-10,12,19,24H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyROFNMENFENOQJJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.36
Rot. Bonds5

About N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide

N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (PubChem CID 5309326) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
PubChem CID5309326
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O
InChIInChI=1S/C20H22N2O3/c1-3-11-22-19(24)15-10-9-14(12-16(15)20(22)25)18(23)21-17-8-6-5-7-13(17)4-2/h5-10,12,19,24H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyROFNMENFENOQJJ-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (CID 5309326) is N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O.
What is the InChIKey of N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The InChIKey is ROFNMENFENOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-11-22-19(24)15-10-9-14(12-16(15)20(22)25)18(23)21-17-8-6-5-7-13(17)4-2/h5-10,12,19,24H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is sourced from PubChem (CID 5309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).