[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate

C20H22N2O4 — CID 2520831

IUPAC[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESCCNC(=O)NC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H2,21,22,23,25)/t14-/m0/s1
InChIKeyMMJPAXRAQISXBW-AWEZNQCLSA-N
MW354.41 g/mol
LogP2.60
Rot. Bonds6

About [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate

[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate (PubChem CID 2520831) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
PubChem CID2520831
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESCCNC(=O)NC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H2,21,22,23,25)/t14-/m0/s1
InChIKeyMMJPAXRAQISXBW-AWEZNQCLSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
CID 30535420
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate (CID 2520831) is [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate is CCNC(=O)NC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The InChIKey is MMJPAXRAQISXBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-21-20(25)22-18(23)14(2)26-19(24)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H2,21,22,23,25)/t14-/m0/s1.
What are the key properties of [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate has a molecular weight of 354.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 2520831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).