[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate

C23H29NO5 — CID 8984850

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-15(21(25)24-19-9-7-8-10-20(19)27-6)29-22(26)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-16H,1-6H3,(H,24,25)/t15-,16+/m0/s1
InChIKeyWVAPNUSVQJVYOS-JKSUJKDBSA-N
MW399.49 g/mol
LogP4.33
Rot. Bonds7

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate (PubChem CID 8984850) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
PubChem CID8984850
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-15(21(25)24-19-9-7-8-10-20(19)27-6)29-22(26)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-16H,1-6H3,(H,24,25)/t15-,16+/m0/s1
InChIKeyWVAPNUSVQJVYOS-JKSUJKDBSA-N
XLogP4.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8866266
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 9061605
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate (CID 8984850) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate is COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The InChIKey is WVAPNUSVQJVYOS-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H29NO5/c1-15(21(25)24-19-9-7-8-10-20(19)27-6)29-22(26)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-16H,1-6H3,(H,24,25)/t15-,16+/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate has a molecular weight of 399.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 8984850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).