4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione

C16H14N2O3 — CID 850937

IUPAC4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cccc(CN2C(=O)c3cccc(N)c3C2=O)c1
InChIInChI=1S/C16H14N2O3/c1-21-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(17)14(12)16(18)20/h2-8H,9,17H2,1H3
InChIKeyOOMXPVHDUGIAIP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione

4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 850937) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
PubChem CID850937
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cccc(CN2C(=O)c3cccc(N)c3C2=O)c1
InChIInChI=1S/C16H14N2O3/c1-21-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(17)14(12)16(18)20/h2-8H,9,17H2,1H3
InChIKeyOOMXPVHDUGIAIP-UHFFFAOYSA-N
XLogP2.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,18-bis[(3-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20661232
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
4-amino-2-[(3-bromo-4-hydroxyphenyl)methyl]isoindole-1,3-dione
CID 63046235
2-[(2-fluorophenyl)methyl]-4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]isoindole-1,3-dione
CID 42481187
4-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202777
4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione
CID 62128305
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
CID 71935665
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188381
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione (CID 850937) is 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione is COc1cccc(CN2C(=O)c3cccc(N)c3C2=O)c1.
What is the InChIKey of 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is OOMXPVHDUGIAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(17)14(12)16(18)20/h2-8H,9,17H2,1H3.
What are the key properties of 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione?
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 850937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).