butyl 2-(2,6-diethylanilino)propanoate

C17H27NO2 — CID 20574818

IUPACbutyl 2-(2,6-diethylanilino)propanoate
SMILESCCCCOC(=O)C(C)Nc1c(CC)cccc1CC
InChIInChI=1S/C17H27NO2/c1-5-8-12-20-17(19)13(4)18-16-14(6-2)10-9-11-15(16)7-3/h9-11,13,18H,5-8,12H2,1-4H3
InChIKeyFANJOQNPPHBMJS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.96
Rot. Bonds8

About butyl 2-(2,6-diethylanilino)propanoate

butyl 2-(2,6-diethylanilino)propanoate (PubChem CID 20574818) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is butyl 2-(2,6-diethylanilino)propanoate.

Molecular Properties

Compound Namebutyl 2-(2,6-diethylanilino)propanoate
PubChem CID20574818
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namebutyl 2-(2,6-diethylanilino)propanoate
SMILESCCCCOC(=O)C(C)Nc1c(CC)cccc1CC
InChIInChI=1S/C17H27NO2/c1-5-8-12-20-17(19)13(4)18-16-14(6-2)10-9-11-15(16)7-3/h9-11,13,18H,5-8,12H2,1-4H3
InChIKeyFANJOQNPPHBMJS-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
cyclohexylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574859
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,6-diethylanilino)propanoate?
The IUPAC name of butyl 2-(2,6-diethylanilino)propanoate (CID 20574818) is butyl 2-(2,6-diethylanilino)propanoate.
What is the SMILES notation for butyl 2-(2,6-diethylanilino)propanoate?
The canonical SMILES for butyl 2-(2,6-diethylanilino)propanoate is CCCCOC(=O)C(C)Nc1c(CC)cccc1CC.
What is the InChIKey of butyl 2-(2,6-diethylanilino)propanoate?
The InChIKey is FANJOQNPPHBMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-8-12-20-17(19)13(4)18-16-14(6-2)10-9-11-15(16)7-3/h9-11,13,18H,5-8,12H2,1-4H3.
What are the key properties of butyl 2-(2,6-diethylanilino)propanoate?
butyl 2-(2,6-diethylanilino)propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,6-diethylanilino)propanoate is sourced from PubChem (CID 20574818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).