[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate

C16H22N2O5 — CID 9139525

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H22N2O5/c1-3-9-17-16(21)18-14(19)11-23-15(20)8-10-22-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19,21)
InChIKeyMGYKRHZEXRYTAC-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.54
Rot. Bonds8

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 9139525) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
PubChem CID9139525
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H22N2O5/c1-3-9-17-16(21)18-14(19)11-23-15(20)8-10-22-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19,21)
InChIKeyMGYKRHZEXRYTAC-UHFFFAOYSA-N
XLogP1.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139479
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31656361
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55418114
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16571065
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate (CID 9139525) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate is CCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is MGYKRHZEXRYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-9-17-16(21)18-14(19)11-23-15(20)8-10-22-13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 322.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).