[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate

C16H22N2O6 — CID 46789085

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O6/c1-4-17-16(21)18-15(20)11(2)24-14(19)9-10-23-13-7-5-12(22-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21)
InChIKeySPKMXJOENJGLPX-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.24
Rot. Bonds8

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate (PubChem CID 46789085) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
PubChem CID46789085
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O6/c1-4-17-16(21)18-15(20)11(2)24-14(19)9-10-23-13-7-5-12(22-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21)
InChIKeySPKMXJOENJGLPX-UHFFFAOYSA-N
XLogP1.24
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46810352
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147468
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 15978144
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585392
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 46789638
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147278
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46513958
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-aminophenyl)-4-oxobutanoate
CID 95788326
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521344

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate (CID 46789085) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate is CCNC(=O)NC(=O)C(C)OC(=O)CCOc1ccc(OC)cc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate?
The InChIKey is SPKMXJOENJGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-4-17-16(21)18-15(20)11(2)24-14(19)9-10-23-13-7-5-12(22-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate has a molecular weight of 338.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 46789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).