1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

C16H22N2O3 — CID 79178956

IUPAC1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1C(N)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H22N2O3/c1-9-5-6-14(21-4)12(7-9)13(17)8-18-15(19)10(2)11(3)16(18)20/h5-7,10-11,13H,8,17H2,1-4H3
InChIKeyFPICENOULMWBOS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79178956) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79178956
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1C(N)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H22N2O3/c1-9-5-6-14(21-4)12(7-9)13(17)8-18-15(19)10(2)11(3)16(18)20/h5-7,10-11,13H,8,17H2,1-4H3
InChIKeyFPICENOULMWBOS-UHFFFAOYSA-N
XLogP1.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.64
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

3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79178956) is 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is COc1ccc(C)cc1C(N)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is FPICENOULMWBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-5-6-14(21-4)12(7-9)13(17)8-18-15(19)10(2)11(3)16(18)20/h5-7,10-11,13H,8,17H2,1-4H3.
What are the key properties of 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79178956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).