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

C22H31F3N2O3 — CID 142976719

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

(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (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(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID142976719
Molecular FormulaC22H31F3N2O3
Molecular Weight428.50 g/mol
Exact Mass428.23
IUPAC Name(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
XLogP3.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262006
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 142976792
acetylene;cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide;propane
CID 142976775
(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 58654164
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447830
1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 10024863
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
trans-(1R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(8-oxabicyclo[3.2.1]octan-3-ylamino)-2-propylcyclopentane-1-carboxamide
CID 142892385

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (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 (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is CC(C)(O)C1CC(NC2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
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 (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide 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 (1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 142976719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).