5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione

C18H18N2O3 — CID 8545276

IUPAC5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O
InChIInChI=1S/C18H18N2O3/c1-11(2)10-20-17(21)15-8-7-14(9-16(15)18(20)22)23-13-5-3-12(19)4-6-13/h3-9,11H,10,19H2,1-2H3
InChIKeyFFIOJVRTXVDYQC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.31
Rot. Bonds4

About 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione

5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione (PubChem CID 8545276) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
PubChem CID8545276
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O
InChIInChI=1S/C18H18N2O3/c1-11(2)10-20-17(21)15-8-7-14(9-16(15)18(20)22)23-13-5-3-12(19)4-6-13/h3-9,11H,10,19H2,1-2H3
InChIKeyFFIOJVRTXVDYQC-UHFFFAOYSA-N
XLogP3.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2924807
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 171422463
(3,4-dimethylphenyl) 2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxylate
CID 9324330
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
2-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]acetate
CID 8545542
5-amino-2-[2-(3-methylbutoxy)ethyl]isoindole-1,3-dione
CID 61484040
ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
CID 66712997
2-methyl-5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propyl]phenoxy]isoindole-1,3-dione
CID 140936134
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione (CID 8545276) is 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione is CC(C)CN1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O.
What is the InChIKey of 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione?
The InChIKey is FFIOJVRTXVDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)10-20-17(21)15-8-7-14(9-16(15)18(20)22)23-13-5-3-12(19)4-6-13/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione?
5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione has a molecular weight of 310.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 8545276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).