methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate

C17H27NO3 — CID 102984075

IUPACmethyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
SMILESCCCC(C)OCCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-9-14(2)21-13-12-17(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
InChIKeyZFOORZWLXNGKSE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.87
Rot. Bonds9

About methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate

methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate (PubChem CID 102984075) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
PubChem CID102984075
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
SMILESCCCC(C)OCCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-9-14(2)21-13-12-17(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
InChIKeyZFOORZWLXNGKSE-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
methyl 2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutanoate
CID 107756352
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
CID 102983991
ethyl 2-(methylamino)-2-phenyl-4-propan-2-ylsulfanylbutanoate
CID 116694659

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate?
The IUPAC name of methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate (CID 102984075) is methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate is CCCC(C)OCCC(NC)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate?
The InChIKey is ZFOORZWLXNGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-9-14(2)21-13-12-17(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)-4-pentan-2-yloxy-2-phenylbutanoate?
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate has a molecular weight of 293.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate is sourced from PubChem (CID 102984075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).