2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C18H16N2O4 — CID 1332049

IUPAC2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-3-20-17(23)13-6-4-11(9-14(13)18(20)24)16(22)19-15-7-5-12(21)8-10(15)2/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyBPBVLXQUWHJDIJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.57
Rot. Bonds3

About 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1332049) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1332049
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-3-20-17(23)13-6-4-11(9-14(13)18(20)24)16(22)19-15-7-5-12(21)8-10(15)2/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyBPBVLXQUWHJDIJ-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-Hydroxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515970
2-tert-butyl-N-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 698873
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
CID 976485
5-hydroxy-2-({[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
CID 1343025
5-Hydroxy-2-(4-hydroxy-2-methylphenyl)isoindoline-1,3-dione
CID 44430374
3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
CID 839416
N-(4-hydroxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085723
3-[[(2-Cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid
CID 1230975
N-(4-hydroxy-2-methylphenyl)-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 1301595
N-(4-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1895209
Cambridge id 5766427
CID 2867309
5-(4-Hydroxyanilino)-2-methylisoindole-1,3-dione
CID 46231004

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1332049) is 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O.
What is the InChIKey of 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BPBVLXQUWHJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-20-17(23)13-6-4-11(9-14(13)18(20)24)16(22)19-15-7-5-12(21)8-10(15)2/h4-9,21H,3H2,1-2H3,(H,19,22).
What are the key properties of 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1332049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).