3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione

C13H16N2O3 — CID 60872220

IUPAC3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(CNC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-4-3-5-10(6-9)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKeySFVQCZFNFZDIJW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.54
Rot. Bonds4

About 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 60872220) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID60872220
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(CNC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-4-3-5-10(6-9)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKeySFVQCZFNFZDIJW-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.54
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-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
1-ethyl-3-[(3-nitrophenyl)methylamino]pyrrolidine-2,5-dione
CID 62505760
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
CID 60934098

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 60872220) is 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione is COc1cccc(CNC2CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is SFVQCZFNFZDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-4-3-5-10(6-9)18-2/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 60872220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).