[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate

C23H29NO4 — CID 7519916

IUPAC[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCC[C@@H](NC(=O)COC(=O)COc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C23H29NO4/c1-5-9-20(19-10-7-6-8-11-19)24-21(25)14-27-22(26)15-28-23-17(3)12-16(2)13-18(23)4/h6-8,10-13,20H,5,9,14-15H2,1-4H3,(H,24,25)/t20-/m1/s1
InChIKeyKXIZYYXRNINWSF-HXUWFJFHSA-N
MW383.49 g/mol
LogP4.19
Rot. Bonds9

About [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 7519916) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID7519916
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCC[C@@H](NC(=O)COC(=O)COc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C23H29NO4/c1-5-9-20(19-10-7-6-8-11-19)24-21(25)14-27-22(26)15-28-23-17(3)12-16(2)13-18(23)4/h6-8,10-13,20H,5,9,14-15H2,1-4H3,(H,24,25)/t20-/m1/s1
InChIKeyKXIZYYXRNINWSF-HXUWFJFHSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
CID 7519105
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7516791
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7523022
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methylbenzoate
CID 7594600
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576888
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 9484446
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985731

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate (CID 7519916) is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate is CCC[C@@H](NC(=O)COC(=O)COc1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is KXIZYYXRNINWSF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-9-20(19-10-7-6-8-11-19)24-21(25)14-27-22(26)15-28-23-17(3)12-16(2)13-18(23)4/h6-8,10-13,20H,5,9,14-15H2,1-4H3,(H,24,25)/t20-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate?
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 383.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 7519916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).