N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide

C17H25FN2O4 — CID 134392770

IUPACN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cccc1C(=O)C(C)(C)NC(O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O4/c1-10(21)19-13-11(8-7-9-12(13)18)14(22)17(5,6)20-15(23)24-16(2,3)4/h7-9,15,20,23H,1-6H3,(H,19,21)
InChIKeyHOWLZEQIXNZKRI-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.43
Rot. Bonds6

About N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide

N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide (PubChem CID 134392770) has the molecular formula C17H25FN2O4 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
PubChem CID134392770
Molecular FormulaC17H25FN2O4
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC NameN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cccc1C(=O)C(C)(C)NC(O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O4/c1-10(21)19-13-11(8-7-9-12(13)18)14(22)17(5,6)20-15(23)24-16(2,3)4/h7-9,15,20,23H,1-6H3,(H,19,21)
InChIKeyHOWLZEQIXNZKRI-UHFFFAOYSA-N
XLogP2.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide (CID 134392770) is N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide is CC(=O)Nc1c(F)cccc1C(=O)C(C)(C)NC(O)OC(C)(C)C.
What is the InChIKey of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
The InChIKey is HOWLZEQIXNZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4/c1-10(21)19-13-11(8-7-9-12(13)18)14(22)17(5,6)20-15(23)24-16(2,3)4/h7-9,15,20,23H,1-6H3,(H,19,21).
What are the key properties of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide?
N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 134392770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).