N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide

C15H22FNO2 — CID 72708606

IUPACN-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](CF)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)12-7-5-11(6-8-12)13(9-16)17-14(18)10-19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyAKGNDPMVMVIZPS-CYBMUJFWSA-N
MW267.34 g/mol
LogP2.76
Rot. Bonds5

About N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide

N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide (PubChem CID 72708606) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide
PubChem CID72708606
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](CF)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)12-7-5-11(6-8-12)13(9-16)17-14(18)10-19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyAKGNDPMVMVIZPS-CYBMUJFWSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
3-(4-tert-butylphenyl)-3-(5-methoxypentanoylamino)propanoic acid
CID 119209901
3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid
CID 119209944
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
N-[1-(4-methylphenyl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604429
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propanoic acid
CID 7044999
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 132655775

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide (CID 72708606) is N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide is COCC(=O)N[C@H](CF)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide?
The InChIKey is AKGNDPMVMVIZPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,3)12-7-5-11(6-8-12)13(9-16)17-14(18)10-19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide?
N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide has a molecular weight of 267.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide is sourced from PubChem (CID 72708606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).