N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H20FNO2 — CID 103940549

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC[C@H](NC(=O)COC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(11-6-5-7-12(15)8-11)16-13(17)9-18-14(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyLRKLGHHLJPKHGU-JTQLQIEISA-N
MW253.32 g/mol
LogP2.82
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940549) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940549
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC[C@H](NC(=O)COC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(11-6-5-7-12(15)8-11)16-13(17)9-18-14(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyLRKLGHHLJPKHGU-JTQLQIEISA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 81369898
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220
5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81369534
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940561
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940549) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is C[C@H](NC(=O)COC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LRKLGHHLJPKHGU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(11-6-5-7-12(15)8-11)16-13(17)9-18-14(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 253.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).