[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate

C20H22N2O5 — CID 55417062

IUPAC[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
SMILESCC(OC(=O)C(C)Oc1ccccc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(27-19(24)15(2)26-17-11-7-4-8-12-17)18(23)22-20(25)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,25)
InChIKeyLGSSFBREQMTENF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.41
Rot. Bonds7

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate (PubChem CID 55417062) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate.

Molecular Properties

Compound Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
PubChem CID55417062
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
SMILESCC(OC(=O)C(C)Oc1ccccc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(27-19(24)15(2)26-17-11-7-4-8-12-17)18(23)22-20(25)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,25)
InChIKeyLGSSFBREQMTENF-UHFFFAOYSA-N
XLogP2.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate with MolForge

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Related Compounds

[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856985
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578127
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575873
(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949497
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958349
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061481
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55937766
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
CID 18123327

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate?
The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate (CID 55417062) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate.
What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate?
The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate is CC(OC(=O)C(C)Oc1ccccc1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate?
The InChIKey is LGSSFBREQMTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(27-19(24)15(2)26-17-11-7-4-8-12-17)18(23)22-20(25)21-13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate?
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate has a molecular weight of 370.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate is sourced from PubChem (CID 55417062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).