1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione

C20H27NO4 — CID 7087291

IUPAC1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1[C@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1
InChIInChI=1S/C20H27NO4/c1-19(2)14-20(11-13-25-19,15-6-4-5-7-16(15)24-3)10-12-21-17(22)8-9-18(21)23/h4-7H,8-14H2,1-3H3/t20-/m1/s1
InChIKeyOOHUFZDEXYJZIH-HXUWFJFHSA-N
MW345.44 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 7087291) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID7087291
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1[C@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1
InChIInChI=1S/C20H27NO4/c1-19(2)14-20(11-13-25-19,15-6-4-5-7-16(15)24-3)10-12-21-17(22)8-9-18(21)23/h4-7H,8-14H2,1-3H3/t20-/m1/s1
InChIKeyOOHUFZDEXYJZIH-HXUWFJFHSA-N
XLogP3.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.06
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

1-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazine;oxalic acid
CID 90485878
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
CID 919628
N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
CID 15998000
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 45143532
1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione
CID 2900998
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 45143533
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 45143531
benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium
CID 7102245
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1427129
2-[(2S,4R)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7372416

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione (CID 7087291) is 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione is COc1ccccc1[C@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1.
What is the InChIKey of 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is OOHUFZDEXYJZIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27NO4/c1-19(2)14-20(11-13-25-19,15-6-4-5-7-16(15)24-3)10-12-21-17(22)8-9-18(21)23/h4-7H,8-14H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 345.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7087291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).