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

C23H24F3N3O5 — CID 2969817

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C23H24F3N3O5/c1-33-17-10-8-16(14-18(17)34-2)12-13-29-20(31)22(23(24,25)26,28-21(29)32)27-19(30)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyRYRVWYQEGBSMRU-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.81
Rot. Bonds9

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

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide (PubChem CID 2969817) has the molecular formula C23H24F3N3O5 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
PubChem CID2969817
Molecular FormulaC23H24F3N3O5
Molecular Weight479.46 g/mol
Exact Mass479.17
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C23H24F3N3O5/c1-33-17-10-8-16(14-18(17)34-2)12-13-29-20(31)22(23(24,25)26,28-21(29)32)27-19(30)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyRYRVWYQEGBSMRU-UHFFFAOYSA-N
XLogP2.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide (CID 2969817) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide is COc1ccc(CCN2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The InChIKey is RYRVWYQEGBSMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O5/c1-33-17-10-8-16(14-18(17)34-2)12-13-29-20(31)22(23(24,25)26,28-21(29)32)27-19(30)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(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]-3-phenylpropanamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide has a molecular weight of 479.46 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 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]-3-phenylpropanamide is sourced from PubChem (CID 2969817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).