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

C17H27NO3 — CID 103284850

IUPACmethyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
SMILESCCCC(C)COCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-9-14(2)12-21-13-17(18-3,16(19)20-4)15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3
InChIKeyKPLMGFFHCWSUDR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds9

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

methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate (PubChem CID 103284850) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
PubChem CID103284850
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
SMILESCCCC(C)COCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-9-14(2)12-21-13-17(18-3,16(19)20-4)15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3
InChIKeyKPLMGFFHCWSUDR-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(2-methylpentoxy)-2-phenylpropanamide
CID 103284960
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
methyl 2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutanoate
CID 107756352
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773
3-(2-methylpentoxy)-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 103284816

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate?
The IUPAC name of methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate (CID 103284850) is methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate?
The canonical SMILES for methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate is CCCC(C)COCC(NC)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate?
The InChIKey is KPLMGFFHCWSUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-9-14(2)12-21-13-17(18-3,16(19)20-4)15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3.
What are the key properties of methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate?
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate has a molecular weight of 293.41 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate is sourced from PubChem (CID 103284850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).