2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione

C13H16N2O3 — CID 63071392

IUPAC2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
SMILESCCOC(CN)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O3/c1-2-18-9(7-14)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLDAHSQVWBMEWGD-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.65
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione

2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione (PubChem CID 63071392) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
PubChem CID63071392
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
SMILESCCOC(CN)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O3/c1-2-18-9(7-14)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLDAHSQVWBMEWGD-UHFFFAOYSA-N
XLogP0.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-methoxypropyl)isoindole-1,3-dione
CID 121378395
4-(3-amino-2-ethoxypropyl)-1,4-benzoxazin-3-one
CID 63072172
ethyl (2S,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxybutanoate
CID 11779023
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
CID 134109727
2-(2-dodecoxy-3-octadecoxypropyl)isoindole-1,3-dione;ethane
CID 142168416
2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
CID 176956532
1-(4-amino-3-ethoxybutyl)pyridin-2-one
CID 63071421
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572
2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione
CID 57109215
2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
CID 122584996
1-(3-amino-2-ethoxypropyl)quinoxalin-2-one
CID 63071589

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione (CID 63071392) is 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione is CCOC(CN)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione?
The InChIKey is LDAHSQVWBMEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-18-9(7-14)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione?
2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione has a molecular weight of 248.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 63071392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).