1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide

C21H24N2O3 — CID 5308555

IUPAC1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O
InChIInChI=1S/C21H24N2O3/c1-3-11-23-20(25)17-8-7-16(13-18(17)21(23)26)19(24)22-10-9-15-6-4-5-14(2)12-15/h4-8,12-13,20,25H,3,9-11H2,1-2H3,(H,22,24)
InChIKeyDXVUZKLMCAVTBA-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.82
Rot. Bonds6

About 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide

1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide (PubChem CID 5308555) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
PubChem CID5308555
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O
InChIInChI=1S/C21H24N2O3/c1-3-11-23-20(25)17-8-7-16(13-18(17)21(23)26)19(24)22-10-9-15-6-4-5-14(2)12-15/h4-8,12-13,20,25H,3,9-11H2,1-2H3,(H,22,24)
InChIKeyDXVUZKLMCAVTBA-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide (CID 5308555) is 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide is CCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O.
What is the InChIKey of 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The InChIKey is DXVUZKLMCAVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-11-23-20(25)17-8-7-16(13-18(17)21(23)26)19(24)22-10-9-15-6-4-5-14(2)12-15/h4-8,12-13,20,25H,3,9-11H2,1-2H3,(H,22,24).
What are the key properties of 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-(3-methylphenyl)ethyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide is sourced from PubChem (CID 5308555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).