[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate

C19H21N3O5 — CID 42898592

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESCNC(=O)NC(=O)C(C)OC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O5/c1-13(18(24)22-19(25)20-2)27-17(23)12-26-16-10-8-15(9-11-16)21-14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22,24,25)
InChIKeyPWEMKHCSDDFDRH-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.20
Rot. Bonds7

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate (PubChem CID 42898592) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
PubChem CID42898592
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESCNC(=O)NC(=O)C(C)OC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O5/c1-13(18(24)22-19(25)20-2)27-17(23)12-26-16-10-8-15(9-11-16)21-14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22,24,25)
InChIKeyPWEMKHCSDDFDRH-UHFFFAOYSA-N
XLogP2.20
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925530
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149565
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149523
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060759
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814561
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate (CID 42898592) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate is CNC(=O)NC(=O)C(C)OC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
The InChIKey is PWEMKHCSDDFDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-13(18(24)22-19(25)20-2)27-17(23)12-26-16-10-8-15(9-11-16)21-14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22,24,25).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate has a molecular weight of 371.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 42898592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).