[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C23H27NO5 — CID 8731450

IUPAC[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C23H27NO5/c1-4-28-21-8-6-5-7-18(21)11-14-22(26)29-15-20(25)17-9-12-19(13-10-17)24-23(27)16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,24,27)
InChIKeyIZTDURHGODQXGA-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.04
Rot. Bonds10

About [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 8731450) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID8731450
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C23H27NO5/c1-4-28-21-8-6-5-7-18(21)11-14-22(26)29-15-20(25)17-9-12-19(13-10-17)24-23(27)16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,24,27)
InChIKeyIZTDURHGODQXGA-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871049
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524461
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384515
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 8731450) is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is IZTDURHGODQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-4-28-21-8-6-5-7-18(21)11-14-22(26)29-15-20(25)17-9-12-19(13-10-17)24-23(27)16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,24,27).
What are the key properties of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 397.47 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 8731450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).