[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate

C20H22N2O4 — CID 16528074

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,25)
InChIKeyWWRMALWEDUZZOE-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.67
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate (PubChem CID 16528074) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
PubChem CID16528074
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,25)
InChIKeyWWRMALWEDUZZOE-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7382431
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-benzylbenzoate
CID 7809515
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 16532605
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 4686957
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2563870
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate (CID 16528074) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate?
The InChIKey is WWRMALWEDUZZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate has a molecular weight of 354.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate is sourced from PubChem (CID 16528074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).