ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate

C17H28N2O2 — CID 65487091

IUPACethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
SMILESCCOC(=O)C(C)(CCN(C)CCc1ccccc1)NC
InChIInChI=1S/C17H28N2O2/c1-5-21-16(20)17(2,18-3)12-14-19(4)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3
InChIKeyPHJYKLUVLIUBIM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.09
Rot. Bonds9

About ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate

ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate (PubChem CID 65487091) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
PubChem CID65487091
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
SMILESCCOC(=O)C(C)(CCN(C)CCc1ccccc1)NC
InChIInChI=1S/C17H28N2O2/c1-5-21-16(20)17(2,18-3)12-14-19(4)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3
InChIKeyPHJYKLUVLIUBIM-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
CID 65486891
diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate (CID 65487091) is ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate is CCOC(=O)C(C)(CCN(C)CCc1ccccc1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate?
The InChIKey is PHJYKLUVLIUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-21-16(20)17(2,18-3)12-14-19(4)13-11-15-9-7-6-8-10-15/h6-10,18H,5,11-14H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate?
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate has a molecular weight of 292.42 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate is sourced from PubChem (CID 65487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).