N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C27H33F3N2O2 — CID 70230856

IUPACN-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H33F3N2O2/c28-27(29,30)23-12-7-19(8-13-23)9-14-25(33)31-24(18-32-15-3-4-16-32)26(34)22-11-10-20-5-1-2-6-21(20)17-22/h7-8,10-13,17,24,26,34H,1-6,9,14-16,18H2,(H,31,33)/t24-,26-/m1/s1
InChIKeyFBOVECYQHYBCDB-AOYPEHQESA-N
MW474.57 g/mol
LogP4.83
Rot. Bonds8

About N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 70230856) has the molecular formula C27H33F3N2O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID70230856
Molecular FormulaC27H33F3N2O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC NameN-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H33F3N2O2/c28-27(29,30)23-12-7-19(8-13-23)9-14-25(33)31-24(18-32-15-3-4-16-32)26(34)22-11-10-20-5-1-2-6-21(20)17-22/h7-8,10-13,17,24,26,34H,1-6,9,14-16,18H2,(H,31,33)/t24-,26-/m1/s1
InChIKeyFBOVECYQHYBCDB-AOYPEHQESA-N
XLogP4.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]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 N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 70230856) is N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FBOVECYQHYBCDB-AOYPEHQESA-N. The full InChI is InChI=1S/C27H33F3N2O2/c28-27(29,30)23-12-7-19(8-13-23)9-14-25(33)31-24(18-32-15-3-4-16-32)26(34)22-11-10-20-5-1-2-6-21(20)17-22/h7-8,10-13,17,24,26,34H,1-6,9,14-16,18H2,(H,31,33)/t24-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 474.57 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 70230856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).