1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C16H19NO4 — CID 79179153

IUPAC1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H19NO4/c1-9-10(2)16(20)17(15(9)19)8-13-7-12(11(3)18)5-6-14(13)21-4/h5-7,9-10H,8H2,1-4H3
InChIKeyVEUBKTXQGHCILB-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.04
Rot. Bonds4

About 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79179153) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79179153
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H19NO4/c1-9-10(2)16(20)17(15(9)19)8-13-7-12(11(3)18)5-6-14(13)21-4/h5-7,9-10H,8H2,1-4H3
InChIKeyVEUBKTXQGHCILB-UHFFFAOYSA-N
XLogP2.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.04
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

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 2530515
2-[(5-acetyl-2-methoxyphenyl)methyl]-5,6-dichloroisoindole-1,3-dione
CID 2648987
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyclohexylimidazolidine-2,4-dione
CID 2694541
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79179153) is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is COc1ccc(C(C)=O)cc1CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is VEUBKTXQGHCILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-10(2)16(20)17(15(9)19)8-13-7-12(11(3)18)5-6-14(13)21-4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79179153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).