N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide

C23H33F3N2O — CID 54674155

IUPACN-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(C)C
InChIInChI=1S/C23H33F3N2O/c1-14(2)21(15(3)4)22(29)27-20-9-8-17-12-28(13-19(17)20)11-16-6-5-7-18(10-16)23(24,25)26/h5-7,10,14-15,17,19-21H,8-9,11-13H2,1-4H3,(H,27,29)/t17-,19+,20+/m0/s1
InChIKeyLZXOZKKXIOLOHJ-DFQSSKMNSA-N
MW410.52 g/mol
LogP4.96
Rot. Bonds6

About N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide

N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide (PubChem CID 54674155) has the molecular formula C23H33F3N2O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide
PubChem CID54674155
Molecular FormulaC23H33F3N2O
Molecular Weight410.52 g/mol
Exact Mass410.25
IUPAC NameN-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(C)C
InChIInChI=1S/C23H33F3N2O/c1-14(2)21(15(3)4)22(29)27-20-9-8-17-12-28(13-19(17)20)11-16-6-5-7-18(10-16)23(24,25)26/h5-7,10,14-15,17,19-21H,8-9,11-13H2,1-4H3,(H,27,29)/t17-,19+,20+/m0/s1
InChIKeyLZXOZKKXIOLOHJ-DFQSSKMNSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide (CID 54674155) is N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)N[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(C)C.
What is the InChIKey of N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is LZXOZKKXIOLOHJ-DFQSSKMNSA-N. The full InChI is InChI=1S/C23H33F3N2O/c1-14(2)21(15(3)4)22(29)27-20-9-8-17-12-28(13-19(17)20)11-16-6-5-7-18(10-16)23(24,25)26/h5-7,10,14-15,17,19-21H,8-9,11-13H2,1-4H3,(H,27,29)/t17-,19+,20+/m0/s1.
What are the key properties of N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide?
N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 410.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 54674155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).