ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate

C15H24N2O2 — CID 55144515

IUPACethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN(C)c1cccc(C)c1)NC
InChIInChI=1S/C15H24N2O2/c1-5-19-15(18)14(16-3)9-10-17(4)13-8-6-7-12(2)11-13/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyLZRAKGLHXSJIBB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds7

About ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate

ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate (PubChem CID 55144515) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
PubChem CID55144515
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN(C)c1cccc(C)c1)NC
InChIInChI=1S/C15H24N2O2/c1-5-19-15(18)14(16-3)9-10-17(4)13-8-6-7-12(2)11-13/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyLZRAKGLHXSJIBB-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,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
CID 63054168
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495173

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate (CID 55144515) is ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate is CCOC(=O)C(CCN(C)c1cccc(C)c1)NC.
What is the InChIKey of ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate?
The InChIKey is LZRAKGLHXSJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-15(18)14(16-3)9-10-17(4)13-8-6-7-12(2)11-13/h6-8,11,14,16H,5,9-10H2,1-4H3.
What are the key properties of ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate?
ethyl 4-(N,3-dimethylanilino)-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 ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate is sourced from PubChem (CID 55144515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).