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

C19H24F3N3O5 — CID 3651967

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(=O)CC(C)C)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C19H24F3N3O5/c1-11(2)9-15(26)23-18(19(20,21)22)16(27)25(17(28)24-18)8-7-12-5-6-13(29-3)14(10-12)30-4/h5-6,10-11H,7-9H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyFQXPHPVPMZMOJZ-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.22
Rot. Bonds8

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

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (PubChem CID 3651967) has the molecular formula C19H24F3N3O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
PubChem CID3651967
Molecular FormulaC19H24F3N3O5
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(=O)CC(C)C)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C19H24F3N3O5/c1-11(2)9-15(26)23-18(19(20,21)22)16(27)25(17(28)24-18)8-7-12-5-6-13(29-3)14(10-12)30-4/h5-6,10-11H,7-9H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyFQXPHPVPMZMOJZ-UHFFFAOYSA-N
XLogP2.22
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-3-methylbutanamide with MolForge

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

Launch Full Analysis

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-methylbutanamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (CID 3651967) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide is COc1ccc(CCN2C(=O)NC(NC(=O)CC(C)C)(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-methylbutanamide?
The InChIKey is FQXPHPVPMZMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O5/c1-11(2)9-15(26)23-18(19(20,21)22)16(27)25(17(28)24-18)8-7-12-5-6-13(29-3)14(10-12)30-4/h5-6,10-11H,7-9H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide has a molecular weight of 431.41 g/mol, XLogP of 2.22, 8 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-methylbutanamide is sourced from PubChem (CID 3651967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).