2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C19H18N2O4 — CID 17359183

IUPAC2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C19H18N2O4/c1-11(2)10-20-17(23)12-3-8-15-16(9-12)19(25)21(18(15)24)13-4-6-14(22)7-5-13/h3-9,11,22H,10H2,1-2H3,(H,20,23)
InChIKeyZUWXGIKKLJFMNJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17359183) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17359183
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C19H18N2O4/c1-11(2)10-20-17(23)12-3-8-15-16(9-12)19(25)21(18(15)24)13-4-6-14(22)7-5-13/h3-9,11,22H,10H2,1-2H3,(H,20,23)
InChIKeyZUWXGIKKLJFMNJ-UHFFFAOYSA-N
XLogP2.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55983161
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(2-methylpropyl)-4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzamide
CID 17171664
2-methylpropyl 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 827675
2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 1268917

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 17359183) is 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZUWXGIKKLJFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)10-20-17(23)12-3-8-15-16(9-12)19(25)21(18(15)24)13-4-6-14(22)7-5-13/h3-9,11,22H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17359183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).