[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C24H29NO5 — CID 8806377

IUPAC[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCCc1ccc([C@@H](NC(=O)COC(=O)COc2ccc(C(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H29NO5/c1-5-18-6-8-20(9-7-18)24(16(2)3)25-22(27)14-30-23(28)15-29-21-12-10-19(11-13-21)17(4)26/h6-13,16,24H,5,14-15H2,1-4H3,(H,25,27)/t24-/m0/s1
InChIKeyYIXCEFLQWVFBIG-DEOSSOPVSA-N
MW411.50 g/mol
LogP3.89
Rot. Bonds10

About [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 8806377) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID8806377
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCCc1ccc([C@@H](NC(=O)COC(=O)COc2ccc(C(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H29NO5/c1-5-18-6-8-20(9-7-18)24(16(2)3)25-22(27)14-30-23(28)15-29-21-12-10-19(11-13-21)17(4)26/h6-13,16,24H,5,14-15H2,1-4H3,(H,25,27)/t24-/m0/s1
InChIKeyYIXCEFLQWVFBIG-DEOSSOPVSA-N
XLogP3.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018343
2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 7671319
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 55318318
2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 17453100
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845558
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-formylbenzoate
CID 9019783
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8806342
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911588
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 8806377) is [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CCc1ccc([C@@H](NC(=O)COC(=O)COc2ccc(C(C)=O)cc2)C(C)C)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is YIXCEFLQWVFBIG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29NO5/c1-5-18-6-8-20(9-7-18)24(16(2)3)25-22(27)14-30-23(28)15-29-21-12-10-19(11-13-21)17(4)26/h6-13,16,24H,5,14-15H2,1-4H3,(H,25,27)/t24-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 411.50 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8806377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).