N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C16H20F3NO3 — CID 94186944

IUPACN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3/c1-2-20(10-13-7-8-22-11-13)15(21)9-12-3-5-14(6-4-12)23-16(17,18)19/h3-6,13H,2,7-11H2,1H3/t13-/m0/s1
InChIKeyTVKWJVUFBJAZHB-ZDUSSCGKSA-N
MW331.33 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 94186944) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID94186944
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3/c1-2-20(10-13-7-8-22-11-13)15(21)9-12-3-5-14(6-4-12)23-16(17,18)19/h3-6,13H,2,7-11H2,1H3/t13-/m0/s1
InChIKeyTVKWJVUFBJAZHB-ZDUSSCGKSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 94186944) is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is CCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is TVKWJVUFBJAZHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-2-20(10-13-7-8-22-11-13)15(21)9-12-3-5-14(6-4-12)23-16(17,18)19/h3-6,13H,2,7-11H2,1H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 94186944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).