1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione

C30H36N2O4 — CID 45251128

IUPAC1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCCC(c3ccccc3)CC2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C30H36N2O4/c1-36-26-16-8-7-15-25(26)30(21-28(34)32(29(30)35)24-13-5-6-14-24)20-27(33)31-18-9-12-23(17-19-31)22-10-3-2-4-11-22/h2-4,7-8,10-11,15-16,23-24H,5-6,9,12-14,17-21H2,1H3
InChIKeyANDNODHGESWQDG-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.82
Rot. Bonds6

About 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione

1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 45251128) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID45251128
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1(CC(=O)N2CCCC(c3ccccc3)CC2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C30H36N2O4/c1-36-26-16-8-7-15-25(26)30(21-28(34)32(29(30)35)24-13-5-6-14-24)20-27(33)31-18-9-12-23(17-19-31)22-10-3-2-4-11-22/h2-4,7-8,10-11,15-16,23-24H,5-6,9,12-14,17-21H2,1H3
InChIKeyANDNODHGESWQDG-UHFFFAOYSA-N
XLogP4.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.82
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

(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42452625
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42169235
(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 42482742
(3S)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(3S)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42436297
3-(2-methoxyphenyl)-1-methyl-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45234214
(3S)-3-(2-methoxyphenyl)-3-[2-[(3R)-3-methoxypiperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42377384
ethyl (3S)-1-[2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42343832
(3S)-3-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462765
(3R)-3-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462732
2-[(3S)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylacetamide
CID 42461529
3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45209718
(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[(3R)-3-phenylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42464813

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione (CID 45251128) is 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione is COc1ccccc1C1(CC(=O)N2CCCC(c3ccccc3)CC2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is ANDNODHGESWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-36-26-16-8-7-15-25(26)30(21-28(34)32(29(30)35)24-13-5-6-14-24)20-27(33)31-18-9-12-23(17-19-31)22-10-3-2-4-11-22/h2-4,7-8,10-11,15-16,23-24H,5-6,9,12-14,17-21H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione?
1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 488.63 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).