1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione

C19H19NO4 — CID 25180390

IUPAC1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1OC
InChIInChI=1S/C19H19NO4/c1-23-15-9-8-14(12-16(15)24-2)19(13-6-4-3-5-7-13)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3
InChIKeyNLPLIOUPXILEAB-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.94
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione

1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione (PubChem CID 25180390) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione
PubChem CID25180390
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1OC
InChIInChI=1S/C19H19NO4/c1-23-15-9-8-14(12-16(15)24-2)19(13-6-4-3-5-7-13)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3
InChIKeyNLPLIOUPXILEAB-UHFFFAOYSA-N
XLogP2.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.94
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

(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
2-[(2S,4S)-1,5-bis(3,4-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)-3-oxo-1,5-diphenylpentan-2-yl]isoindole-1,3-dione
CID 70363603
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,2-diphenylacetamide
CID 1325933
1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4283453
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
1-[(4-ethoxy-3-methoxyphenyl)-phenylmethyl]pyrrolidine-2-carboxylic acid
CID 3313050
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione (CID 25180390) is 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione is COc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The InChIKey is NLPLIOUPXILEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-15-9-8-14(12-16(15)24-2)19(13-6-4-3-5-7-13)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione has a molecular weight of 325.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 25180390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).