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

C16H23FN2O4 — CID 134392769

IUPACN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide
SMILESCC(C)(C)OC(O)NC(C)(C)C(=O)c1cccc(F)c1NC=O
InChIInChI=1S/C16H23FN2O4/c1-15(2,3)23-14(22)19-16(4,5)13(21)10-7-6-8-11(17)12(10)18-9-20/h6-9,14,19,22H,1-5H3,(H,18,20)
InChIKeySALVHTWLHBYOOY-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.04
Rot. Bonds7

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

N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide (PubChem CID 134392769) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide
PubChem CID134392769
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC NameN-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide
SMILESCC(C)(C)OC(O)NC(C)(C)C(=O)c1cccc(F)c1NC=O
InChIInChI=1S/C16H23FN2O4/c1-15(2,3)23-14(22)19-16(4,5)13(21)10-7-6-8-11(17)12(10)18-9-20/h6-9,14,19,22H,1-5H3,(H,18,20)
InChIKeySALVHTWLHBYOOY-UHFFFAOYSA-N
XLogP2.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]formamide?
The IUPAC name of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide (CID 134392769) is N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide.
What is the SMILES notation for N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide?
The canonical SMILES for N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide is CC(C)(C)OC(O)NC(C)(C)C(=O)c1cccc(F)c1NC=O.
What is the InChIKey of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide?
The InChIKey is SALVHTWLHBYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-15(2,3)23-14(22)19-16(4,5)13(21)10-7-6-8-11(17)12(10)18-9-20/h6-9,14,19,22H,1-5H3,(H,18,20).
What are the key properties of N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide?
N-[2-fluoro-6-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]formamide has a molecular weight of 326.37 g/mol, XLogP of 2.04, 7 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]formamide is sourced from PubChem (CID 134392769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).