methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate

C17H25NO3 — CID 106204595

IUPACmethyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCNC(COCCC1CCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-9-4-3-5-10-15)13-21-12-11-14-7-6-8-14/h3-5,9-10,14,18H,6-8,11-13H2,1-2H3
InChIKeyADXYXTKGLVOAIY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds8

About methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate

methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate (PubChem CID 106204595) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
PubChem CID106204595
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCNC(COCCC1CCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-9-4-3-5-10-15)13-21-12-11-14-7-6-8-14/h3-5,9-10,14,18H,6-8,11-13H2,1-2H3
InChIKeyADXYXTKGLVOAIY-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
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

methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
CID 63557499
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
CID 95304784
3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 63632518
methyl 2-(methylamino)-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoate
CID 79326571
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate (CID 106204595) is methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate is CNC(COCCC1CCC1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate?
The InChIKey is ADXYXTKGLVOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18-17(16(19)20-2,15-9-4-3-5-10-15)13-21-12-11-14-7-6-8-14/h3-5,9-10,14,18H,6-8,11-13H2,1-2H3.
What are the key properties of methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate?
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate is sourced from PubChem (CID 106204595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).