1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

C17H20N2O6 — CID 7738319

IUPAC1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C17H20N2O6/c1-4-5-8-18-15(21)16(22)19(17(18)23)10-13(20)12-7-6-11(24-2)9-14(12)25-3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyJCYVQKZDZMHFSD-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.48
Rot. Bonds8

About 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 7738319) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID7738319
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C17H20N2O6/c1-4-5-8-18-15(21)16(22)19(17(18)23)10-13(20)12-7-6-11(24-2)9-14(12)25-3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyJCYVQKZDZMHFSD-UHFFFAOYSA-N
XLogP1.48
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione 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

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
4-(1,3-dioxoisoindol-2-yl)butyl 2,4-dimethoxybenzoate
CID 16523429
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
1-butyl-3-[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7225214
2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone
CID 69324150
2-tert-butylsulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 60645739
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
CID 19109754

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 7738319) is 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O.
What is the InChIKey of 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is JCYVQKZDZMHFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-4-5-8-18-15(21)16(22)19(17(18)23)10-13(20)12-7-6-11(24-2)9-14(12)25-3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 348.36 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7738319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).