methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate

C17H24FNO4 — CID 78851528

IUPACmethyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C17H24FNO4/c1-6-11-17(4,15(21)22-5)19-14(20)16(2,3)23-13-9-7-12(18)8-10-13/h7-10H,6,11H2,1-5H3,(H,19,20)
InChIKeyZNAVYKJTVJIJAS-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.83
Rot. Bonds7

About methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate

methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate (PubChem CID 78851528) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
PubChem CID78851528
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Namemethyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C17H24FNO4/c1-6-11-17(4,15(21)22-5)19-14(20)16(2,3)23-13-9-7-12(18)8-10-13/h7-10H,6,11H2,1-5H3,(H,19,20)
InChIKeyZNAVYKJTVJIJAS-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
CID 106167676
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
CID 78869482
N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide
CID 78865587
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate (CID 78851528) is methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate?
The InChIKey is ZNAVYKJTVJIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-6-11-17(4,15(21)22-5)19-14(20)16(2,3)23-13-9-7-12(18)8-10-13/h7-10H,6,11H2,1-5H3,(H,19,20).
What are the key properties of methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate?
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate has a molecular weight of 325.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate is sourced from PubChem (CID 78851528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).