[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate

C22H27NO5 — CID 8985054

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-15(28-17-12-10-16(11-13-17)22(2,3)4)21(25)27-14-20(24)23-18-8-6-7-9-19(18)26-5/h6-13,15H,14H2,1-5H3,(H,23,24)/t15-/m0/s1
InChIKeyIURHIFPAQYCJJW-HNNXBMFYSA-N
MW385.46 g/mol
LogP3.94
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate

[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate (PubChem CID 8985054) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
PubChem CID8985054
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-15(28-17-12-10-16(11-13-17)22(2,3)4)21(25)27-14-20(24)23-18-8-6-7-9-19(18)26-5/h6-13,15H,14H2,1-5H3,(H,23,24)/t15-/m0/s1
InChIKeyIURHIFPAQYCJJW-HNNXBMFYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate with MolForge

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705
[2-(2-methylanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8985000
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984997
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984965
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984659
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984621
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984743

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate (CID 8985054) is [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate is COc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate?
The InChIKey is IURHIFPAQYCJJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-15(28-17-12-10-16(11-13-17)22(2,3)4)21(25)27-14-20(24)23-18-8-6-7-9-19(18)26-5/h6-13,15H,14H2,1-5H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate?
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate has a molecular weight of 385.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 8985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).