ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate

C23H29NO4 — CID 43877668

IUPACethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C23H29NO4/c1-5-27-22(26)19(15-17-11-7-6-8-12-17)24-21(25)16-28-20-14-10-9-13-18(20)23(2,3)4/h6-14,19H,5,15-16H2,1-4H3,(H,24,25)
InChIKeyBLFYDSXOXCEPGR-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.65
Rot. Bonds8

About ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate

ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 43877668) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID43877668
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C23H29NO4/c1-5-27-22(26)19(15-17-11-7-6-8-12-17)24-21(25)16-28-20-14-10-9-13-18(20)23(2,3)4/h6-14,19H,5,15-16H2,1-4H3,(H,24,25)
InChIKeyBLFYDSXOXCEPGR-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 100687131
ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 43877584
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
CID 119221548
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197641
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate (CID 43877668) is ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is BLFYDSXOXCEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-27-22(26)19(15-17-11-7-6-8-12-17)24-21(25)16-28-20-14-10-9-13-18(20)23(2,3)4/h6-14,19H,5,15-16H2,1-4H3,(H,24,25).
What are the key properties of ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate?
ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 383.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 43877668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).