(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

C21H24F3NO4 — CID 38928242

IUPAC(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(C[C@H](NC(=O)[C@@H](C)OCC(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24F3NO4/c1-14(29-13-21(22,23)24)20(26)25-19(16-6-10-18(28-3)11-7-16)12-15-4-8-17(27-2)9-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,25,26)/t14-,19+/m1/s1
InChIKeyVVXXTAWEAIHGIB-KUHUBIRLSA-N
MW411.42 g/mol
LogP4.07
Rot. Bonds9

About (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38928242) has the molecular formula C21H24F3NO4 and a molecular weight of 411.42 g/mol. Its IUPAC name is (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38928242
Molecular FormulaC21H24F3NO4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(C[C@H](NC(=O)[C@@H](C)OCC(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24F3NO4/c1-14(29-13-21(22,23)24)20(26)25-19(16-6-10-18(28-3)11-7-16)12-15-4-8-17(27-2)9-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,25,26)/t14-,19+/m1/s1
InChIKeyVVXXTAWEAIHGIB-KUHUBIRLSA-N
XLogP4.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 46820313
N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
CID 48658410
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 38928242) is (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is COc1ccc(C[C@H](NC(=O)[C@@H](C)OCC(F)(F)F)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VVXXTAWEAIHGIB-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H24F3NO4/c1-14(29-13-21(22,23)24)20(26)25-19(16-6-10-18(28-3)11-7-16)12-15-4-8-17(27-2)9-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,25,26)/t14-,19+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 411.42 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38928242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).