N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O2 — CID 81364541

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(10-3-5-11(20-2)6-4-10)18-12(19)7-17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyVJTYWEVDLDEKDS-SECBINFHSA-N
MW290.29 g/mol
LogP2.02
Rot. Bonds6

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 81364541) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID81364541
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(10-3-5-11(20-2)6-4-10)18-12(19)7-17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyVJTYWEVDLDEKDS-SECBINFHSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958173
2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81363876
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
2-[ethylsulfonyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100784769

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 81364541) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccc([C@@H](C)NC(=O)CNCC(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VJTYWEVDLDEKDS-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(10-3-5-11(20-2)6-4-10)18-12(19)7-17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 290.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 81364541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).