N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H24FNO3 — CID 110000345

IUPACN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)COC(C)(C)C
InChIInChI=1S/C16H24FNO3/c1-11(18-15(20)10-21-16(2,3)4)9-14(19)12-5-7-13(17)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyNKEPYSXRNQJNMG-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.57
Rot. Bonds6

About N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 110000345) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID110000345
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC NameN-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)COC(C)(C)C
InChIInChI=1S/C16H24FNO3/c1-11(18-15(20)10-21-16(2,3)4)9-14(19)12-5-7-13(17)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyNKEPYSXRNQJNMG-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 110000345) is N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(CC(O)c1ccc(F)cc1)NC(=O)COC(C)(C)C.
What is the InChIKey of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NKEPYSXRNQJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(18-15(20)10-21-16(2,3)4)9-14(19)12-5-7-13(17)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 297.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 110000345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).