2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate

C17H28N2O2 — CID 20574837

IUPAC2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)18-13(3)17(20)21-12-11-19(4)5/h8-10,13,18H,6-7,11-12H2,1-5H3
InChIKeyOGEYWJOQCUMZBM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds8

About 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate

2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate (PubChem CID 20574837) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
PubChem CID20574837
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)18-13(3)17(20)21-12-11-19(4)5/h8-10,13,18H,6-7,11-12H2,1-5H3
InChIKeyOGEYWJOQCUMZBM-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 57268227
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
cyclohexylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574859
2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
2-aminoacetic acid;2-cyanoethyl (2S)-2-(2-chloro-6-ethylanilino)propanoate
CID 70568365
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate (CID 20574837) is 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate is CCc1cccc(CC)c1NC(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate?
The InChIKey is OGEYWJOQCUMZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-14-9-8-10-15(7-2)16(14)18-13(3)17(20)21-12-11-19(4)5/h8-10,13,18H,6-7,11-12H2,1-5H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate?
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate has a molecular weight of 292.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate is sourced from PubChem (CID 20574837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).