N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C14H18F3NO2 — CID 95571773

IUPACN-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN(C(=O)COC)[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-4-18(13(19)9-20-3)10(2)11-6-5-7-12(8-11)14(15,16)17/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyWOWZEIROZBHECQ-SNVBAGLBSA-N
MW289.30 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 95571773) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID95571773
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN(C(=O)COC)[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-4-18(13(19)9-20-3)10(2)11-6-5-7-12(8-11)14(15,16)17/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyWOWZEIROZBHECQ-SNVBAGLBSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78853702
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861
1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
ethyl 2-nitro-2-[3-(trifluoromethyl)phenyl]acetate
CID 57327400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 95571773) is N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CCN(C(=O)COC)[C@H](C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is WOWZEIROZBHECQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-4-18(13(19)9-20-3)10(2)11-6-5-7-12(8-11)14(15,16)17/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 95571773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).