1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione

C23H33NO4 — CID 163998952

IUPAC1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione
SMILESCOC(Cc1ccc(CC2CCCCCCCC2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H33NO4/c1-27-23(28-24-21(25)14-15-22(24)26)17-20-12-10-19(11-13-20)16-18-8-6-4-2-3-5-7-9-18/h10-13,18,23H,2-9,14-17H2,1H3
InChIKeyUHFQJBFANAUXIW-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.58
Rot. Bonds7

About 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione

1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione (PubChem CID 163998952) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione
PubChem CID163998952
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione
SMILESCOC(Cc1ccc(CC2CCCCCCCC2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H33NO4/c1-27-23(28-24-21(25)14-15-22(24)26)17-20-12-10-19(11-13-20)16-18-8-6-4-2-3-5-7-9-18/h10-13,18,23H,2-9,14-17H2,1H3
InChIKeyUHFQJBFANAUXIW-UHFFFAOYSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-dithiolate;carbanide;cyclopentane;(2,5-dioxopyrrolidin-1-yl) 4-(cyclopentylmethyl)benzoate;titanium(4+)
CID 162297987
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
6-benzylcyclodecan-1-one
CID 22319830
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 20502162
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
bis[4-(cyclohexylmethyl)phenyl] carbonate
CID 141347280
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
CID 58420731
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
CID 21421948

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione (CID 163998952) is 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione is COC(Cc1ccc(CC2CCCCCCCC2)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione?
The InChIKey is UHFQJBFANAUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-27-23(28-24-21(25)14-15-22(24)26)17-20-12-10-19(11-13-20)16-18-8-6-4-2-3-5-7-9-18/h10-13,18,23H,2-9,14-17H2,1H3.
What are the key properties of 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione?
1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione has a molecular weight of 387.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclononylmethyl)phenyl]-1-methoxyethoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 163998952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).