N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide

C23H29F3N2O3 — CID 146118399

IUPACN-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide
SMILESC[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccc(C(F)(F)F)cc2)[C@@H]1CNC(=O)C1CCOCC1
InChIInChI=1S/C23H29F3N2O3/c1-14-10-20-18(19(14)12-27-22(30)16-6-8-31-9-7-16)11-21(29)28(20)13-15-2-4-17(5-3-15)23(24,25)26/h2-5,14,16,18-20H,6-13H2,1H3,(H,27,30)/t14-,18-,19+,20+/m0/s1
InChIKeyKKKRGUCLVOEBIG-VVHHDAOASA-N
MW438.49 g/mol
LogP3.62
Rot. Bonds5

About N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide

N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide (PubChem CID 146118399) has the molecular formula C23H29F3N2O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide
PubChem CID146118399
Molecular FormulaC23H29F3N2O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC NameN-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide
SMILESC[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccc(C(F)(F)F)cc2)[C@@H]1CNC(=O)C1CCOCC1
InChIInChI=1S/C23H29F3N2O3/c1-14-10-20-18(19(14)12-27-22(30)16-6-8-31-9-7-16)11-21(29)28(20)13-15-2-4-17(5-3-15)23(24,25)26/h2-5,14,16,18-20H,6-13H2,1H3,(H,27,30)/t14-,18-,19+,20+/m0/s1
InChIKeyKKKRGUCLVOEBIG-VVHHDAOASA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide 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-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide (CID 146118399) is N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide is C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccc(C(F)(F)F)cc2)[C@@H]1CNC(=O)C1CCOCC1.
What is the InChIKey of N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is KKKRGUCLVOEBIG-VVHHDAOASA-N. The full InChI is InChI=1S/C23H29F3N2O3/c1-14-10-20-18(19(14)12-27-22(30)16-6-8-31-9-7-16)11-21(29)28(20)13-15-2-4-17(5-3-15)23(24,25)26/h2-5,14,16,18-20H,6-13H2,1H3,(H,27,30)/t14-,18-,19+,20+/m0/s1.
What are the key properties of N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide?
N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 146118399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).