(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide

C22H28F6N2O2 — CID 58654164

IUPAC(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C22H28F6N2O2/c1-2-20(6-3-18(12-20)30-17-4-7-32-8-5-17)19(31)29-13-14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h9-11,17-18,30H,2-8,12-13H2,1H3,(H,29,31)/t18-,20?/m1/s1
InChIKeyHXDWXRLGHNDTIX-QSVWIEALSA-N
MW466.47 g/mol
LogP5.06
Rot. Bonds6

About (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide

(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide (PubChem CID 58654164) has the molecular formula C22H28F6N2O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
PubChem CID58654164
Molecular FormulaC22H28F6N2O2
Molecular Weight466.47 g/mol
Exact Mass466.21
IUPAC Name(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C22H28F6N2O2/c1-2-20(6-3-18(12-20)30-17-4-7-32-8-5-17)19(31)29-13-14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h9-11,17-18,30H,2-8,12-13H2,1H3,(H,29,31)/t18-,20?/m1/s1
InChIKeyHXDWXRLGHNDTIX-QSVWIEALSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)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-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-1-methylsulfonyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 70995797
1-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[methyl(oxan-4-yl)amino]cyclopentane-1-carboxamide
CID 10053078
acetylene;cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide;propane
CID 142976775
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 142976792
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[[(2R,4R)-2-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 165366480
benzyl 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-(oxan-4-ylamino)cyclopentyl]-4-hydroxypiperidine-1-carboxylate
CID 10462128
cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-hydroxyoxan-4-yl)amino]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 59734993
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10028696
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-cyclopropyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10052388
(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-methyloxan-4-yl)amino]-1-methylsulfonylcyclopentane-1-carboxamide
CID 59735087
1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 10024863
[1-ethyl-3-(oxan-4-ylamino)cyclopentyl]-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 142826961

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide (CID 58654164) is (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide is CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide?
The InChIKey is HXDWXRLGHNDTIX-QSVWIEALSA-N. The full InChI is InChI=1S/C22H28F6N2O2/c1-2-20(6-3-18(12-20)30-17-4-7-32-8-5-17)19(31)29-13-14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h9-11,17-18,30H,2-8,12-13H2,1H3,(H,29,31)/t18-,20?/m1/s1.
What are the key properties of (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide?
(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 58654164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).