3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C14H20FNO3 — CID 110001057

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)(C)CO)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,9-17)16-13(18)7-5-10-4-6-12(19-3)11(15)8-10/h4,6,8,17H,5,7,9H2,1-3H3,(H,16,18)
InChIKeyLOEUELCWAGZHPS-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.65
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 110001057) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID110001057
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)(C)CO)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,9-17)16-13(18)7-5-10-4-6-12(19-3)11(15)8-10/h4,6,8,17H,5,7,9H2,1-3H3,(H,16,18)
InChIKeyLOEUELCWAGZHPS-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64671122
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 110001057) is 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is COc1ccc(CCC(=O)NC(C)(C)CO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is LOEUELCWAGZHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,9-17)16-13(18)7-5-10-4-6-12(19-3)11(15)8-10/h4,6,8,17H,5,7,9H2,1-3H3,(H,16,18).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 110001057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).