[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate

C23H27NO5 — CID 8840794

IUPAC[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H27NO5/c1-16(2)19-9-7-18(8-10-19)11-12-24-22(26)14-29-23(27)15-28-21-6-4-5-20(13-21)17(3)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,24,26)
InChIKeyJVTMKHZRXQEZTK-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.29
Rot. Bonds10

About [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 8840794) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
PubChem CID8840794
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H27NO5/c1-16(2)19-9-7-18(8-10-19)11-12-24-22(26)14-29-23(27)15-28-21-6-4-5-20(13-21)17(3)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,24,26)
InChIKeyJVTMKHZRXQEZTK-UHFFFAOYSA-N
XLogP3.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808116
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 27916949
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(4-fluorophenyl)acetate
CID 9198812
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate (CID 8840794) is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is JVTMKHZRXQEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16(2)19-9-7-18(8-10-19)11-12-24-22(26)14-29-23(27)15-28-21-6-4-5-20(13-21)17(3)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,24,26).
What are the key properties of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate?
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 397.47 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8840794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).