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

C15H24N2O2 — CID 63030085

IUPACmethyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
SMILESCCN(CCC(NC)C(=O)OC)c1ccccc1C
InChIInChI=1S/C15H24N2O2/c1-5-17(14-9-7-6-8-12(14)2)11-10-13(16-3)15(18)19-4/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyWSTWEEFWQRXRJT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds7

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

methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate (PubChem CID 63030085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
PubChem CID63030085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
SMILESCCN(CCC(NC)C(=O)OC)c1ccccc1C
InChIInChI=1S/C15H24N2O2/c1-5-17(14-9-7-6-8-12(14)2)11-10-13(16-3)15(18)19-4/h6-9,13,16H,5,10-11H2,1-4H3
InChIKeyWSTWEEFWQRXRJT-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
CID 63029106
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate (CID 63030085) is methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate is CCN(CCC(NC)C(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate?
The InChIKey is WSTWEEFWQRXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(14-9-7-6-8-12(14)2)11-10-13(16-3)15(18)19-4/h6-9,13,16H,5,10-11H2,1-4H3.
What are the key properties of methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate?
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate has a molecular weight of 264.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate is sourced from PubChem (CID 63030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).