methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate

C16H22FNO4 — CID 78869482

IUPACmethyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)Oc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C16H22FNO4/c1-5-9-16(3,15(20)21-4)18-14(19)11(2)22-13-8-6-7-12(17)10-13/h6-8,10-11H,5,9H2,1-4H3,(H,18,19)
InChIKeyMOOOMAICUJFQOW-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.44
Rot. Bonds7

About methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate

methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate (PubChem CID 78869482) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
PubChem CID78869482
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Namemethyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)C(C)Oc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C16H22FNO4/c1-5-9-16(3,15(20)21-4)18-14(19)11(2)22-13-8-6-7-12(17)10-13/h6-8,10-11H,5,9H2,1-4H3,(H,18,19)
InChIKeyMOOOMAICUJFQOW-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(3-fluorophenoxy)propanoylamino]-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

methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
CID 55793330
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81339909
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618948
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate?
The IUPAC name of methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate (CID 78869482) is methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate is CCCC(C)(NC(=O)C(C)Oc1cccc(F)c1)C(=O)OC.
What is the InChIKey of methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate?
The InChIKey is MOOOMAICUJFQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-5-9-16(3,15(20)21-4)18-14(19)11(2)22-13-8-6-7-12(17)10-13/h6-8,10-11H,5,9H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate?
methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate has a molecular weight of 311.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate is sourced from PubChem (CID 78869482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).