[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C23H27NO5 — CID 55525266

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H27NO5/c1-2-27-19-10-12-20(13-11-19)28-15-14-22(26)29-16-21(25)24-23(18-8-9-18)17-6-4-3-5-7-17/h3-7,10-13,18,23H,2,8-9,14-16H2,1H3,(H,24,25)
InChIKeyDAQAZBOXDIMWPQ-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.66
Rot. Bonds11

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 55525266) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID55525266
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H27NO5/c1-2-27-19-10-12-20(13-11-19)28-15-14-22(26)29-16-21(25)24-23(18-8-9-18)17-6-4-3-5-7-17/h3-7,10-13,18,23H,2,8-9,14-16H2,1H3,(H,24,25)
InChIKeyDAQAZBOXDIMWPQ-UHFFFAOYSA-N
XLogP3.66
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55525250
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55525398
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55541254

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 55525266) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is DAQAZBOXDIMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-2-27-19-10-12-20(13-11-19)28-15-14-22(26)29-16-21(25)24-23(18-8-9-18)17-6-4-3-5-7-17/h3-7,10-13,18,23H,2,8-9,14-16H2,1H3,(H,24,25).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 397.47 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 55525266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).