RXVUEYKYWKTRTI-JLAWEPINSA-N

Name: RXVUEYKYWKTRTI-JLAWEPINSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₃₁F₃N₂O₃ — CID 142976719

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

SMILESCC(C)(O)C1CC(NC2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1

InChIInChI=1S/C22H31F3N2O3/c1-21(2,29)19-12-17(27-16-6-8-30-9-7-16)11-18(19)20(28)26-13-14-4-3-5-15(10-14)22(23,24)25/h3-5,10,16-19,27,29H,6-9,11-13H2,1-2H3,(H,26,28)/t17?,18-,19?/m1/s1

InChIKeyRXVUEYKYWKTRTI-JLAWEPINSA-N

MW428.50 g/mol

LogP3.26

Rot. Bonds6

About RXVUEYKYWKTRTI-JLAWEPINSA-N

RXVUEYKYWKTRTI-JLAWEPINSA-N (PubChem CID 142976719) has the molecular formula C₂₂H₃₁F₃N₂O₃ and a molecular weight of 428.50 g/mol. Its IUPAC name is (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name	RXVUEYKYWKTRTI-JLAWEPINSA-N
PubChem CID	142976719
Molecular Formula	C₂₂H₃₁F₃N₂O₃
Molecular Weight	428.50 g/mol
Exact Mass	428.23
IUPAC Name	(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILES	CC(C)(O)C1CC(NC2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C22H31F3N2O3/c1-21(2,29)19-12-17(27-16-6-8-30-9-7-16)11-18(19)20(28)26-13-14-4-3-5-15(10-14)22(23,24)25/h3-5,10,16-19,27,29H,6-9,11-13H2,1-2H3,(H,26,28)/t17?,18-,19?/m1/s1
InChIKey	RXVUEYKYWKTRTI-JLAWEPINSA-N
XLogP	3.26
TPSA	70.59 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of RXVUEYKYWKTRTI-JLAWEPINSA-N?

The IUPAC name of RXVUEYKYWKTRTI-JLAWEPINSA-N (CID 142976719) is (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for RXVUEYKYWKTRTI-JLAWEPINSA-N?

The canonical SMILES for RXVUEYKYWKTRTI-JLAWEPINSA-N is CC(C)(O)C1CC(NC2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1.

What is the InChIKey of RXVUEYKYWKTRTI-JLAWEPINSA-N?

The InChIKey is RXVUEYKYWKTRTI-JLAWEPINSA-N. The full InChI is InChI=1S/C22H31F3N2O3/c1-21(2,29)19-12-17(27-16-6-8-30-9-7-16)11-18(19)20(28)26-13-14-4-3-5-15(10-14)22(23,24)25/h3-5,10,16-19,27,29H,6-9,11-13H2,1-2H3,(H,26,28)/t17?,18-,19?/m1/s1.

What are the key properties of RXVUEYKYWKTRTI-JLAWEPINSA-N?

RXVUEYKYWKTRTI-JLAWEPINSA-N has a molecular weight of 428.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for RXVUEYKYWKTRTI-JLAWEPINSA-N is sourced from PubChem (CID 142976719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142976719 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.