(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide

C20H21N3O4 — CID 7993349

IUPAC(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](Oc1ccc(C#N)cc1OCC)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-3-22-20(25)23-19(24)18(15-8-6-5-7-9-15)27-16-11-10-14(13-21)12-17(16)26-4-2/h5-12,18H,3-4H2,1-2H3,(H2,22,23,24,25)/t18-/m1/s1
InChIKeyCXHRYYXEFKZXNB-GOSISDBHSA-N
MW367.41 g/mol
LogP2.92
Rot. Bonds7

About (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 7993349) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID7993349
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](Oc1ccc(C#N)cc1OCC)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-3-22-20(25)23-19(24)18(15-8-6-5-7-9-15)27-16-11-10-14(13-21)12-17(16)26-4-2/h5-12,18H,3-4H2,1-2H3,(H2,22,23,24,25)/t18-/m1/s1
InChIKeyCXHRYYXEFKZXNB-GOSISDBHSA-N
XLogP2.92
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8607165
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 7843330
(2R)-2-(3-bromophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7818419
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274048
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537803
2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 107670449
2-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethoxy]-N-phenylbenzamide
CID 7981008
(2R)-2-(4-chlorophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7816326
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7993066
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate
CID 9390920
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide (CID 7993349) is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](Oc1ccc(C#N)cc1OCC)c1ccccc1.
What is the InChIKey of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is CXHRYYXEFKZXNB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-22-20(25)23-19(24)18(15-8-6-5-7-9-15)27-16-11-10-14(13-21)12-17(16)26-4-2/h5-12,18H,3-4H2,1-2H3,(H2,22,23,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide?
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 367.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 7993349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).