6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one

C14H20N2O3 — CID 103183081

IUPAC6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
SMILESCOCCCOCCN1Cc2ccc(N)cc2C1=O
InChIInChI=1S/C14H20N2O3/c1-18-6-2-7-19-8-5-16-10-11-3-4-12(15)9-13(11)14(16)17/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyMYFPMBWJMRZUSM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds7

About 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one

6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one (PubChem CID 103183081) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
PubChem CID103183081
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
SMILESCOCCCOCCN1Cc2ccc(N)cc2C1=O
InChIInChI=1S/C14H20N2O3/c1-18-6-2-7-19-8-5-16-10-11-3-4-12(15)9-13(11)14(16)17/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyMYFPMBWJMRZUSM-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637
7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one
CID 103409761
6-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3H-isoindol-1-one
CID 112591350
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 102538194
6-amino-2-(2-ethylsulfonylethyl)-3H-isoindol-1-one
CID 106729407
6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 82891912
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 59276302
6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one
CID 105374797
6-amino-2-[(3-methyl-2-pyridinyl)methyl]-3H-isoindol-1-one
CID 112651266

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one?
The IUPAC name of 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one (CID 103183081) is 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one is COCCCOCCN1Cc2ccc(N)cc2C1=O.
What is the InChIKey of 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one?
The InChIKey is MYFPMBWJMRZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-6-2-7-19-8-5-16-10-11-3-4-12(15)9-13(11)14(16)17/h3-4,9H,2,5-8,10,15H2,1H3.
What are the key properties of 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one?
6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 103183081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).