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

C17H28N2O2 — CID 65486141

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

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

ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate (PubChem CID 65486141) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
PubChem CID65486141
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN(C)CCc1ccccc1)NC(C)C
InChIInChI=1S/C17H28N2O2/c1-5-21-17(20)16(18-14(2)3)13-19(4)12-11-15-9-7-6-8-10-15/h6-10,14,16,18H,5,11-13H2,1-4H3
InChIKeyFRLJSHCZAXNDTB-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

methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanamide
CID 65487669
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
CID 65485946
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl 3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 63211159
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
CID 13345970
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 146262940
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate (CID 65486141) is ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate is CCOC(=O)C(CN(C)CCc1ccccc1)NC(C)C.
What is the InChIKey of ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate?
The InChIKey is FRLJSHCZAXNDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-21-17(20)16(18-14(2)3)13-19(4)12-11-15-9-7-6-8-10-15/h6-10,14,16,18H,5,11-13H2,1-4H3.
What are the key properties of ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate?
ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)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 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 65486141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).