N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H22FNO2 — CID 112605544

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COC(C)(C)C)cc(C)c1F
InChIInChI=1S/C15H22FNO2/c1-10-6-12(7-11(2)14(10)16)8-17-13(18)9-19-15(3,4)5/h6-7H,8-9H2,1-5H3,(H,17,18)
InChIKeyFBJHVJSQKJNCFL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.87
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605544) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605544
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COC(C)(C)C)cc(C)c1F
InChIInChI=1S/C15H22FNO2/c1-10-6-12(7-11(2)14(10)16)8-17-13(18)9-19-15(3,4)5/h6-7H,8-9H2,1-5H3,(H,17,18)
InChIKeyFBJHVJSQKJNCFL-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
2-[(2-methylpropan-2-yl)oxy]-N-[(4-nitrophenyl)methyl]acetamide
CID 112605091
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898789
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
CID 115949291
N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605497
trans-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 30609815
cis-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 30609812

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605544) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cc(CNC(=O)COC(C)(C)C)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FBJHVJSQKJNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10-6-12(7-11(2)14(10)16)8-17-13(18)9-19-15(3,4)5/h6-7H,8-9H2,1-5H3,(H,17,18).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 267.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).