ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate

C17H28N2O2 — CID 65487856

IUPACethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
SMILESCCNC(C)(CN(C)CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H28N2O2/c1-5-18-17(3,16(20)21-6-2)14-19(4)13-12-15-10-8-7-9-11-15/h7-11,18H,5-6,12-14H2,1-4H3
InChIKeyURTYSWBLHLUNPZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.09
Rot. Bonds9

About ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate

ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate (PubChem CID 65487856) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
PubChem CID65487856
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
SMILESCCNC(C)(CN(C)CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H28N2O2/c1-5-18-17(3,16(20)21-6-2)14-19(4)13-12-15-10-8-7-9-11-15/h7-11,18H,5-6,12-14H2,1-4H3
InChIKeyURTYSWBLHLUNPZ-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-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
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
1-O-ethyl 3-O-(3-phenylpropyl) 2,2-dimethylpropanedioate
CID 91710074
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782
3-(ethylamino)-3-methyl-5-phenylpentanamide
CID 65233623
ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 65486141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate (CID 65487856) is ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate is CCNC(C)(CN(C)CCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate?
The InChIKey is URTYSWBLHLUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-18-17(3,16(20)21-6-2)14-19(4)13-12-15-10-8-7-9-11-15/h7-11,18H,5-6,12-14H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate?
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate 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-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate is sourced from PubChem (CID 65487856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).