1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione

C24H26N2O4 — CID 46637926

IUPAC1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-30-20-12-8-17(9-13-20)21-5-3-2-4-16-25(21)24(29)18-6-10-19(11-7-18)26-22(27)14-15-23(26)28/h6-13,21H,2-5,14-16H2,1H3
InChIKeyGUNXCLFBTHVQSK-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.11
Rot. Bonds4

About 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione

1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 46637926) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID46637926
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H26N2O4/c1-30-20-12-8-17(9-13-20)21-5-3-2-4-16-25(21)24(29)18-6-10-19(11-7-18)26-22(27)14-15-23(26)28/h6-13,21H,2-5,14-16H2,1H3
InChIKeyGUNXCLFBTHVQSK-UHFFFAOYSA-N
XLogP4.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.11
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

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 51299278
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
(4-methoxyphenyl)-[(2S)-2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone
CID 1080315
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 25433626
3-chloro-5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 75404382
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
[4-(difluoromethoxy)-3-methoxyphenyl]-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796792

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione (CID 46637926) is 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione is COc1ccc(C2CCCCCN2C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is GUNXCLFBTHVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-30-20-12-8-17(9-13-20)21-5-3-2-4-16-25(21)24(29)18-6-10-19(11-7-18)26-22(27)14-15-23(26)28/h6-13,21H,2-5,14-16H2,1H3.
What are the key properties of 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 406.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 46637926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).