methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate

C15H23NO4 — CID 82351193

IUPACmethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate
SMILESCOC(=O)CC(Cc1ccccc1)NCCOCCO
InChIInChI=1S/C15H23NO4/c1-19-15(18)12-14(16-7-9-20-10-8-17)11-13-5-3-2-4-6-13/h2-6,14,16-17H,7-12H2,1H3
InChIKeyFYNOBFMTBBZNTL-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.76
Rot. Bonds10

About methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate

methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate (PubChem CID 82351193) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate
PubChem CID82351193
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate
SMILESCOC(=O)CC(Cc1ccccc1)NCCOCCO
InChIInChI=1S/C15H23NO4/c1-19-15(18)12-14(16-7-9-20-10-8-17)11-13-5-3-2-4-6-13/h2-6,14,16-17H,7-12H2,1H3
InChIKeyFYNOBFMTBBZNTL-UHFFFAOYSA-N
XLogP0.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate 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-methoxyethylamino)-4-(4-propylphenyl)butanoate
CID 82351588
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
(2S)-2-[3-[2-(2-hydroxyethoxy)ethylamino]butanoylamino]-3-phenylpropanoic acid
CID 56645626
methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
CID 67284187
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
methyl 4-(3,4-difluorophenyl)-3-(2-hydroxyethylamino)butanoate
CID 82351608
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
prop-2-enyl 3-(butylamino)-4-phenylbutanoate
CID 23244441

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate?
The IUPAC name of methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate (CID 82351193) is methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate.
What is the SMILES notation for methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate?
The canonical SMILES for methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate is COC(=O)CC(Cc1ccccc1)NCCOCCO.
What is the InChIKey of methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate?
The InChIKey is FYNOBFMTBBZNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-19-15(18)12-14(16-7-9-20-10-8-17)11-13-5-3-2-4-6-13/h2-6,14,16-17H,7-12H2,1H3.
What are the key properties of methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate?
methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate has a molecular weight of 281.35 g/mol, XLogP of 0.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate is sourced from PubChem (CID 82351193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).