methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate

C17H27NO3 — CID 116694411

IUPACmethyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
SMILESCNC(CCOC(C)C(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(2)14(3)21-12-11-17(18-4,16(19)20-5)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyZVCNYFOZLSTBKW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds8

About methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate

methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate (PubChem CID 116694411) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
PubChem CID116694411
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
SMILESCNC(CCOC(C)C(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(2)14(3)21-12-11-17(18-4,16(19)20-5)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyZVCNYFOZLSTBKW-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
methyl 2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutanoate
CID 107756352
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
methyl 2-(methylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoate
CID 116694011
2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
4-(2-methoxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694492

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate?
The IUPAC name of methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate (CID 116694411) is methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate is CNC(CCOC(C)C(C)C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate?
The InChIKey is ZVCNYFOZLSTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)14(3)21-12-11-17(18-4,16(19)20-5)15-9-7-6-8-10-15/h6-10,13-14,18H,11-12H2,1-5H3.
What are the key properties of methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate?
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate has a molecular weight of 293.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate is sourced from PubChem (CID 116694411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).