ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate

C20H19NO2 — CID 155937426

IUPACethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate
SMILESCCOC(=O)[C@H](Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-2-23-20(22)19(16-9-4-3-5-10-16)21-18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19,21H,2H2,1H3/t19-/m1/s1
InChIKeyNVMNJTSASRAFSI-LJQANCHMSA-N
MW305.38 g/mol
LogP4.56
Rot. Bonds5

About ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate

ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate (PubChem CID 155937426) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate
PubChem CID155937426
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Nameethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate
SMILESCCOC(=O)[C@H](Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-2-23-20(22)19(16-9-4-3-5-10-16)21-18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19,21H,2H2,1H3/t19-/m1/s1
InChIKeyNVMNJTSASRAFSI-LJQANCHMSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 272832
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
Ethyl 11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaene-12-carboxylate
CID 162668701
methyl (2S)-3-(4-aminophenyl)-2-(dibenzylamino)propanoate
CID 168287764
Glycine, N,2-diphenyl-N-(phenylacetyl)-, ethyl ester
CID 3068543
[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate
CID 57401843
Ethyl 2-[4-(benzylamino)phenyl]acetate
CID 5005571
Propanoic acid, 3-[(2-naphthyl)amino]-, methyl ester
CID 593740
Methyl 2-phenyl-2-phenylaminoacetate
CID 11195840
N-(2-naphthyl)alanine Methyl Ester
CID 22876174
Ethyl 2-[4-[(4-fluorophenyl)methylamino]phenyl]acetate
CID 5127207
Methyl 2-(2-fluoroanilino)-2-phenylacetate
CID 60647680

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate (CID 155937426) is ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate is CCOC(=O)[C@H](Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate?
The InChIKey is NVMNJTSASRAFSI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-23-20(22)19(16-9-4-3-5-10-16)21-18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19,21H,2H2,1H3/t19-/m1/s1.
What are the key properties of ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate?
ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate has a molecular weight of 305.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(naphthalen-2-ylamino)-2-phenylacetate is sourced from PubChem (CID 155937426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).