ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate

C22H34N2O6 — CID 157444349

IUPACethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate
SMILESCCNC(=O)C(COC(C)(C)C)N(CC(=O)OCC)CC(=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O6/c1-6-23-21(27)18(16-30-22(3,4)5)24(13-19(25)28-7-2)14-20(26)29-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3,(H,23,27)
InChIKeyXANIDURZEDWSRY-UHFFFAOYSA-N
MW422.52 g/mol
LogP1.91
Rot. Bonds12

About ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate

ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate (PubChem CID 157444349) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate
PubChem CID157444349
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Nameethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate
SMILESCCNC(=O)C(COC(C)(C)C)N(CC(=O)OCC)CC(=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O6/c1-6-23-21(27)18(16-30-22(3,4)5)24(13-19(25)28-7-2)14-20(26)29-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3,(H,23,27)
InChIKeyXANIDURZEDWSRY-UHFFFAOYSA-N
XLogP1.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate with MolForge

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Related Compounds

benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
2-[2-aminoethyl(phenylmethoxycarbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 175532649
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[1-(phenylmethoxycarbonylamino)propan-2-yl]amino]acetate
CID 23510759
benzyl (2R)-2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 57276308
ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonylamino]acetate
CID 10617974
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(phenylmethoxycarbonylamino)propyl]amino]acetate
CID 22727258
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
tert-butyl 2-[[(2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]-[(2S)-2-[bis(2-oxo-2-phenylmethoxyethyl)amino]propanoyl]amino]acetate
CID 10771542
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10494880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate (CID 157444349) is ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate is CCNC(=O)C(COC(C)(C)C)N(CC(=O)OCC)CC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate?
The InChIKey is XANIDURZEDWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O6/c1-6-23-21(27)18(16-30-22(3,4)5)24(13-19(25)28-7-2)14-20(26)29-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3,(H,23,27).
What are the key properties of ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate?
ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate has a molecular weight of 422.52 g/mol, XLogP of 1.91, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate is sourced from PubChem (CID 157444349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).