ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate

C16H23FN2O5 — CID 75510521

IUPACethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C16H23FN2O5/c1-4-23-15(20)7-8-19(2)16(21)18-12-5-6-14(13(17)11-12)24-10-9-22-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyOCXSZLJIRRTGDW-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.27
Rot. Bonds9

About ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate

ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate (PubChem CID 75510521) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
PubChem CID75510521
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Nameethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C16H23FN2O5/c1-4-23-15(20)7-8-19(2)16(21)18-12-5-6-14(13(17)11-12)24-10-9-22-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyOCXSZLJIRRTGDW-UHFFFAOYSA-N
XLogP2.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate 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

1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
CID 75510496
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
5-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylbenzoic acid
CID 63653548
2-[3-fluoro-4-(2-methoxyethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168608748
4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide
CID 119052121
3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
CID 115378615

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate (CID 75510521) is ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)Nc1ccc(OCCOC)c(F)c1.
What is the InChIKey of ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate?
The InChIKey is OCXSZLJIRRTGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O5/c1-4-23-15(20)7-8-19(2)16(21)18-12-5-6-14(13(17)11-12)24-10-9-22-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate?
ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate has a molecular weight of 342.37 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate is sourced from PubChem (CID 75510521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).