methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate

C18H18FNO4 — CID 17414893

IUPACmethyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-23-18(22)11-16(13-5-3-2-4-6-13)20-17(21)12-24-15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3,(H,20,21)
InChIKeyRYZFHGRRVBYCCE-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.63
Rot. Bonds7

About methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate

methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 17414893) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID17414893
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Namemethyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-23-18(22)11-16(13-5-3-2-4-6-13)20-17(21)12-24-15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3,(H,20,21)
InChIKeyRYZFHGRRVBYCCE-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate 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 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
CID 55995306

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate (CID 17414893) is methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is RYZFHGRRVBYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-18(22)11-16(13-5-3-2-4-6-13)20-17(21)12-24-15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3,(H,20,21).
What are the key properties of methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 331.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 17414893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).