[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

C20H24N2O4 — CID 11955717

IUPAC[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(OCCN)cc3C2)c(O)cc1O
InChIInChI=1S/C20H24N2O4/c1-12(2)16-8-17(19(24)9-18(16)23)20(25)22-10-13-3-4-15(26-6-5-21)7-14(13)11-22/h3-4,7-9,12,23-24H,5-6,10-11,21H2,1-2H3
InChIKeyAOPZUOIZRHXLCT-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.71
Rot. Bonds5

About [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 11955717) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID11955717
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(OCCN)cc3C2)c(O)cc1O
InChIInChI=1S/C20H24N2O4/c1-12(2)16-8-17(19(24)9-18(16)23)20(25)22-10-13-3-4-15(26-6-5-21)7-14(13)11-22/h3-4,7-9,12,23-24H,5-6,10-11,21H2,1-2H3
InChIKeyAOPZUOIZRHXLCT-UHFFFAOYSA-N
XLogP2.71
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)-6-(1-Methylethyl)benzene-1,3-Diol
CID 11849171
1,3-Dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
CID 11955555
(9as)-8-Acetyl-N-[(3-Ethoxynaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide
CID 56593158
Hericerin
CID 102195678
1,3-Dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
CID 11955467
[5-(3-Amino-propoxy)-1,3-dihydro-isoindol-2-yl]-(2,4-dihydroxy-5-isopropyl-phenyl)-methanone
CID 11955509
(2,4-Dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
CID 11955557
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 11955596
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-(3-morpholin-4-ylpropoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 11955597
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 11955598
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[2-(2,2-dimethylpropylamino)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 11955769
[5-[2-(Cyclopentylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 11955813

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 11955717) is [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2Cc3ccc(OCCN)cc3C2)c(O)cc1O.
What is the InChIKey of [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is AOPZUOIZRHXLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)16-8-17(19(24)9-18(16)23)20(25)22-10-13-3-4-15(26-6-5-21)7-14(13)11-22/h3-4,7-9,12,23-24H,5-6,10-11,21H2,1-2H3.
What are the key properties of [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
[5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 356.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethoxy)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11955717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).