[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

C23H29NO4 — CID 8534550

IUPAC[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)24-22(25)16-28-23(26)14-11-18-9-12-20(27-3)13-10-18/h4-10,12-13,17,21H,11,14-16H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyDRRRNBZYDYGFGR-OAQYLSRUSA-N
MW383.49 g/mol
LogP4.07
Rot. Bonds10

About [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 8534550) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
PubChem CID8534550
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)24-22(25)16-28-23(26)14-11-18-9-12-20(27-3)13-10-18/h4-10,12-13,17,21H,11,14-16H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyDRRRNBZYDYGFGR-OAQYLSRUSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methoxyphenyl)propanoate
CID 7628890
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 8522192
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8513496
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (CID 8534550) is [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1.
What is the InChIKey of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is DRRRNBZYDYGFGR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)24-22(25)16-28-23(26)14-11-18-9-12-20(27-3)13-10-18/h4-10,12-13,17,21H,11,14-16H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 383.49 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 8534550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).