[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate

C22H26N2O6 — CID 7147468

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O6/c1-3-23-22(27)24-21(26)20(16-8-5-4-6-9-16)30-19(25)10-7-15-29-18-13-11-17(28-2)12-14-18/h4-6,8-9,11-14,20H,3,7,10,15H2,1-2H3,(H2,23,24,26,27)/t20-/m1/s1
InChIKeyOVGOLBPMBOETKU-HXUWFJFHSA-N
MW414.46 g/mol
LogP2.98
Rot. Bonds10

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 7147468) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID7147468
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O6/c1-3-23-22(27)24-21(26)20(16-8-5-4-6-9-16)30-19(25)10-7-15-29-18-13-11-17(28-2)12-14-18/h4-6,8-9,11-14,20H,3,7,10,15H2,1-2H3,(H2,23,24,26,27)/t20-/m1/s1
InChIKeyOVGOLBPMBOETKU-HXUWFJFHSA-N
XLogP2.98
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate with MolForge

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274048
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 7843330
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923913
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-hydroxy-5-methoxybenzoate
CID 33278355
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate (CID 7147468) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate is CCNC(=O)NC(=O)[C@H](OC(=O)CCCOc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is OVGOLBPMBOETKU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-3-23-22(27)24-21(26)20(16-8-5-4-6-9-16)30-19(25)10-7-15-29-18-13-11-17(28-2)12-14-18/h4-6,8-9,11-14,20H,3,7,10,15H2,1-2H3,(H2,23,24,26,27)/t20-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 414.46 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 7147468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).