methyl 3-(4-methoxybutylamino)-2-phenylpropanoate

C15H23NO3 — CID 64560952

IUPACmethyl 3-(4-methoxybutylamino)-2-phenylpropanoate
SMILESCOCCCCNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-18-11-7-6-10-16-12-14(15(17)19-2)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyQFGFYKPGGVQOPS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds9

About methyl 3-(4-methoxybutylamino)-2-phenylpropanoate

methyl 3-(4-methoxybutylamino)-2-phenylpropanoate (PubChem CID 64560952) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-(4-methoxybutylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxybutylamino)-2-phenylpropanoate
PubChem CID64560952
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-(4-methoxybutylamino)-2-phenylpropanoate
SMILESCOCCCCNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-18-11-7-6-10-16-12-14(15(17)19-2)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyQFGFYKPGGVQOPS-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
methyl 3-[3-[methyl(propan-2-yl)amino]propylamino]-2-phenylpropanoate
CID 106036554
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
CID 106276941
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxybutylamino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(4-methoxybutylamino)-2-phenylpropanoate (CID 64560952) is methyl 3-(4-methoxybutylamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(4-methoxybutylamino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(4-methoxybutylamino)-2-phenylpropanoate is COCCCCNCC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-(4-methoxybutylamino)-2-phenylpropanoate?
The InChIKey is QFGFYKPGGVQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-11-7-6-10-16-12-14(15(17)19-2)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3.
What are the key properties of methyl 3-(4-methoxybutylamino)-2-phenylpropanoate?
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxybutylamino)-2-phenylpropanoate is sourced from PubChem (CID 64560952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).