2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione

C18H18N2O3 — CID 131850985

IUPAC2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
SMILESCOc1cccc(N(C)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O3/c1-19(13-6-5-7-14(12-13)23-2)10-11-20-17(21)15-8-3-4-9-16(15)18(20)22/h3-9,12H,10-11H2,1-2H3
InChIKeyJTHARTNHTJPWPF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione

2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione (PubChem CID 131850985) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
PubChem CID131850985
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
SMILESCOc1cccc(N(C)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H18N2O3/c1-19(13-6-5-7-14(12-13)23-2)10-11-20-17(21)15-8-3-4-9-16(15)18(20)22/h3-9,12H,10-11H2,1-2H3
InChIKeyJTHARTNHTJPWPF-UHFFFAOYSA-N
XLogP2.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328
2-[2-[methyl(2-phenoxyethyl)amino]ethyl]isoindole-1,3-dione
CID 18087450
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
CID 170984962
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide
CID 3617336
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione (CID 131850985) is 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione is COc1cccc(N(C)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione?
The InChIKey is JTHARTNHTJPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(13-6-5-7-14(12-13)23-2)10-11-20-17(21)15-8-3-4-9-16(15)18(20)22/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione?
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione has a molecular weight of 310.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 131850985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).