N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C20H20N2O3 — CID 15990928

IUPACN-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(C(C)=O)cc3)c2C1=O
InChIInChI=1S/C20H20N2O3/c1-3-11-22-12-15-5-4-6-17(18(15)20(22)25)19(24)21-16-9-7-14(8-10-16)13(2)23/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyFCOAOIUHERDMGS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.51
Rot. Bonds5

About N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 15990928) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID15990928
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(C(C)=O)cc3)c2C1=O
InChIInChI=1S/C20H20N2O3/c1-3-11-22-12-15-5-4-6-17(18(15)20(22)25)19(24)21-16-9-7-14(8-10-16)13(2)23/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyFCOAOIUHERDMGS-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 15990928) is N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(C(C)=O)cc3)c2C1=O.
What is the InChIKey of N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is FCOAOIUHERDMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-11-22-12-15-5-4-6-17(18(15)20(22)25)19(24)21-16-9-7-14(8-10-16)13(2)23/h4-10H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).