2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C19H28F3N3O3 — CID 146402202

IUPAC2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCC(C)[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C19H28F3N3O3/c1-12(2)13-9-25(5)10-14(13)24-17(26)18(3,4)11-27-16-15(7-6-8-23-16)28-19(20,21)22/h6-8,12-14H,9-11H2,1-5H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyOYMRYSRGNIHNST-UONOGXRCSA-N
MW403.45 g/mol
LogP3.09
Rot. Bonds7

About 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402202) has the molecular formula C19H28F3N3O3 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402202
Molecular FormulaC19H28F3N3O3
Molecular Weight403.45 g/mol
Exact Mass403.21
IUPAC Name2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCC(C)[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C19H28F3N3O3/c1-12(2)13-9-25(5)10-14(13)24-17(26)18(3,4)11-27-16-15(7-6-8-23-16)28-19(20,21)22/h6-8,12-14H,9-11H2,1-5H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyOYMRYSRGNIHNST-UONOGXRCSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide 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 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402202) is 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CC(C)[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is OYMRYSRGNIHNST-UONOGXRCSA-N. The full InChI is InChI=1S/C19H28F3N3O3/c1-12(2)13-9-25(5)10-14(13)24-17(26)18(3,4)11-27-16-15(7-6-8-23-16)28-19(20,21)22/h6-8,12-14H,9-11H2,1-5H3,(H,24,26)/t13-,14+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 403.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).