ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate

C15H21NO2 — CID 114989601

IUPACethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
SMILESCCNC(C(=O)OCC)(c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c1-3-16-15(13-10-11-13,14(17)18-4-2)12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3
InChIKeyARWJQNJZIOCKKI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds6

About ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate

ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate (PubChem CID 114989601) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
PubChem CID114989601
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
SMILESCCNC(C(=O)OCC)(c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c1-3-16-15(13-10-11-13,14(17)18-4-2)12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3
InChIKeyARWJQNJZIOCKKI-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid
CID 114989842
ethyl 2-cyclopropyl-2-(dibenzylamino)-2-phenylacetate
CID 56927078
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
diethyl 2-[(1R)-3-oxocyclohexyl]-2-phenylpropanedioate
CID 135021532
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
ethyl 2-cyclopropyl-2-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 63920061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate (CID 114989601) is ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate is CCNC(C(=O)OCC)(c1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate?
The InChIKey is ARWJQNJZIOCKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16-15(13-10-11-13,14(17)18-4-2)12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate?
ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate has a molecular weight of 247.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate is sourced from PubChem (CID 114989601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).