[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate

C19H20N2O4 — CID 16609295

IUPAC[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13(25-17(22)12-7-14-5-3-2-4-6-14)19(24)21-16-10-8-15(9-11-16)18(20)23/h2-6,8-11,13H,7,12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyIEHOCDBJODDZGL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds7

About [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate (PubChem CID 16609295) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
PubChem CID16609295
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13(25-17(22)12-7-14-5-3-2-4-6-14)19(24)21-16-10-8-15(9-11-16)18(20)23/h2-6,8-11,13H,7,12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyIEHOCDBJODDZGL-UHFFFAOYSA-N
XLogP2.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316402
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8552348
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654596
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799888
4-(3-phenylpropanoylamino)benzamide
CID 675903
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8533043
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46514008

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate (CID 16609295) is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate is CC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The InChIKey is IEHOCDBJODDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(25-17(22)12-7-14-5-3-2-4-6-14)19(24)21-16-10-8-15(9-11-16)18(20)23/h2-6,8-11,13H,7,12H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate has a molecular weight of 340.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 16609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).