[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate

C22H27NO5 — CID 55317623

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-4-26-19-10-12-20(13-11-19)27-15-14-22(25)28-16-21(24)23(17(2)3)18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3
InChIKeyQNHDSXNYCKYKCO-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.84
Rot. Bonds10

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 55317623) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID55317623
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-4-26-19-10-12-20(13-11-19)27-15-14-22(25)28-16-21(24)23(17(2)3)18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3
InChIKeyQNHDSXNYCKYKCO-UHFFFAOYSA-N
XLogP3.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 5099591
propyl 3-phenoxypropanoate
CID 43389568
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate (CID 55317623) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is QNHDSXNYCKYKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-26-19-10-12-20(13-11-19)27-15-14-22(25)28-16-21(24)23(17(2)3)18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 385.46 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 55317623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).