[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate

C20H19N3O5 — CID 7843330

IUPAC[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O5/c1-2-22-20(26)23-19(25)18(15-6-4-3-5-7-15)28-17(24)13-27-16-10-8-14(12-21)9-11-16/h3-11,18H,2,13H2,1H3,(H2,22,23,25,26)/t18-/m0/s1
InChIKeyNVJKKOVZHLRVCP-SFHVURJKSA-N
MW381.39 g/mol
LogP2.07
Rot. Bonds7

About [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 7843330) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
PubChem CID7843330
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O5/c1-2-22-20(26)23-19(25)18(15-6-4-3-5-7-15)28-17(24)13-27-16-10-8-14(12-21)9-11-16/h3-11,18H,2,13H2,1H3,(H2,22,23,25,26)/t18-/m0/s1
InChIKeyNVJKKOVZHLRVCP-SFHVURJKSA-N
XLogP2.07
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate with MolForge

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274048
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923913
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853563
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147468
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815250
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537803
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 9140873

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate (CID 7843330) is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate is CCNC(=O)NC(=O)[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is NVJKKOVZHLRVCP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-2-22-20(26)23-19(25)18(15-6-4-3-5-7-15)28-17(24)13-27-16-10-8-14(12-21)9-11-16/h3-11,18H,2,13H2,1H3,(H2,22,23,25,26)/t18-/m0/s1.
What are the key properties of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 381.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 7843330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).