N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide

C23H24F3N3O6 — CID 4272906

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H24F3N3O6/c1-4-35-16-8-6-5-7-15(16)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)12-11-14-9-10-17(33-2)18(13-14)34-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyBOWCZKSHWOSLTL-UHFFFAOYSA-N
MW495.45 g/mol
LogP2.89
Rot. Bonds9

About N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide (PubChem CID 4272906) has the molecular formula C23H24F3N3O6 and a molecular weight of 495.45 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide
PubChem CID4272906
Molecular FormulaC23H24F3N3O6
Molecular Weight495.45 g/mol
Exact Mass495.16
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H24F3N3O6/c1-4-35-16-8-6-5-7-15(16)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)12-11-14-9-10-17(33-2)18(13-14)34-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyBOWCZKSHWOSLTL-UHFFFAOYSA-N
XLogP2.89
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide 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

N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide
CID 5157172
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3-phenylpropanamide
CID 2969817
3-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2997913
3-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2999202
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3239203
N-[2,5-Dioxo-1-(3-phenyl-propyl)-4-trifluoromethyl-imidazolidin-4-yl]-4-isopropoxy-benzamide
CID 3527972
3-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3889864
3-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3956240
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 8384828
N-[2-(3,4-Diethoxyphenyl)ethyl]-2-{3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-YL}acetamide
CID 9551190
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(4-fluorophenyl)methoxy]benzamide
CID 24817894
3-[2-(1,3-Benzodioxol-5-yl)-2-keto-ethyl]-5-[4-(difluoromethoxy)phenyl]-5-methyl-hydantoin
CID 24981147

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide (CID 4272906) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide?
The InChIKey is BOWCZKSHWOSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O6/c1-4-35-16-8-6-5-7-15(16)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)12-11-14-9-10-17(33-2)18(13-14)34-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,30)(H,28,32).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide has a molecular weight of 495.45 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-ethoxybenzamide is sourced from PubChem (CID 4272906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).