methyl 4-(N-ethyl-2-methylanilino)butanoate

C14H21NO2 — CID 43377722

IUPACmethyl 4-(N-ethyl-2-methylanilino)butanoate
SMILESCCN(CCCC(=O)OC)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-15(11-7-10-14(16)17-3)13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyURSPQWUESSNKQO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.77
Rot. Bonds6

About methyl 4-(N-ethyl-2-methylanilino)butanoate

methyl 4-(N-ethyl-2-methylanilino)butanoate (PubChem CID 43377722) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 4-(N-ethyl-2-methylanilino)butanoate.

Molecular Properties

Compound Namemethyl 4-(N-ethyl-2-methylanilino)butanoate
PubChem CID43377722
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 4-(N-ethyl-2-methylanilino)butanoate
SMILESCCN(CCCC(=O)OC)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-15(11-7-10-14(16)17-3)13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyURSPQWUESSNKQO-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
methyl 3-(N-ethyl-2-ethylsulfonylanilino)propanoate
CID 62004581
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
6-(N,2-dimethylanilino)hexan-3-one
CID 106801284

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-ethyl-2-methylanilino)butanoate?
The IUPAC name of methyl 4-(N-ethyl-2-methylanilino)butanoate (CID 43377722) is methyl 4-(N-ethyl-2-methylanilino)butanoate.
What is the SMILES notation for methyl 4-(N-ethyl-2-methylanilino)butanoate?
The canonical SMILES for methyl 4-(N-ethyl-2-methylanilino)butanoate is CCN(CCCC(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 4-(N-ethyl-2-methylanilino)butanoate?
The InChIKey is URSPQWUESSNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(11-7-10-14(16)17-3)13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of methyl 4-(N-ethyl-2-methylanilino)butanoate?
methyl 4-(N-ethyl-2-methylanilino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-ethyl-2-methylanilino)butanoate is sourced from PubChem (CID 43377722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).