butyl 2-(2-ethyl-6-methylanilino)propanoate

C16H25NO2 — CID 20574885

IUPACbutyl 2-(2-ethyl-6-methylanilino)propanoate
SMILESCCCCOC(=O)C(C)Nc1c(C)cccc1CC
InChIInChI=1S/C16H25NO2/c1-5-7-11-19-16(18)13(4)17-15-12(3)9-8-10-14(15)6-2/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyDLAJENAWTBJUDS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.70
Rot. Bonds7

About butyl 2-(2-ethyl-6-methylanilino)propanoate

butyl 2-(2-ethyl-6-methylanilino)propanoate (PubChem CID 20574885) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is butyl 2-(2-ethyl-6-methylanilino)propanoate.

Molecular Properties

Compound Namebutyl 2-(2-ethyl-6-methylanilino)propanoate
PubChem CID20574885
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebutyl 2-(2-ethyl-6-methylanilino)propanoate
SMILESCCCCOC(=O)C(C)Nc1c(C)cccc1CC
InChIInChI=1S/C16H25NO2/c1-5-7-11-19-16(18)13(4)17-15-12(3)9-8-10-14(15)6-2/h8-10,13,17H,5-7,11H2,1-4H3
InChIKeyDLAJENAWTBJUDS-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.70
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-(2,6-diethylanilino)propanoate
CID 20574818
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
2,2,2-trichloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 54313943

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-ethyl-6-methylanilino)propanoate?
The IUPAC name of butyl 2-(2-ethyl-6-methylanilino)propanoate (CID 20574885) is butyl 2-(2-ethyl-6-methylanilino)propanoate.
What is the SMILES notation for butyl 2-(2-ethyl-6-methylanilino)propanoate?
The canonical SMILES for butyl 2-(2-ethyl-6-methylanilino)propanoate is CCCCOC(=O)C(C)Nc1c(C)cccc1CC.
What is the InChIKey of butyl 2-(2-ethyl-6-methylanilino)propanoate?
The InChIKey is DLAJENAWTBJUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-11-19-16(18)13(4)17-15-12(3)9-8-10-14(15)6-2/h8-10,13,17H,5-7,11H2,1-4H3.
What are the key properties of butyl 2-(2-ethyl-6-methylanilino)propanoate?
butyl 2-(2-ethyl-6-methylanilino)propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-ethyl-6-methylanilino)propanoate is sourced from PubChem (CID 20574885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).