3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid

C17H28N2O2 — CID 82319983

IUPAC3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
SMILESCCc1cccc(C)c1N(CCCN(C)C)CCC(=O)O
InChIInChI=1S/C17H28N2O2/c1-5-15-9-6-8-14(2)17(15)19(13-10-16(20)21)12-7-11-18(3)4/h6,8-9H,5,7,10-13H2,1-4H3,(H,20,21)
InChIKeyDFOWJHWLFPERBI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.79
Rot. Bonds9

About 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid

3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid (PubChem CID 82319983) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
PubChem CID82319983
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
SMILESCCc1cccc(C)c1N(CCCN(C)C)CCC(=O)O
InChIInChI=1S/C17H28N2O2/c1-5-15-9-6-8-14(2)17(15)19(13-10-16(20)21)12-7-11-18(3)4/h6,8-9H,5,7,10-13H2,1-4H3,(H,20,21)
InChIKeyDFOWJHWLFPERBI-UHFFFAOYSA-N
XLogP2.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-benzyl-2-ethyl-6-methylanilino)propanoic acid
CID 82317295
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-[3-(dimethylamino)propyl]-4-ethylanilino]propanoic acid
CID 82319981
3-[N-[(2-fluorophenyl)methyl]-2,6-dimethylanilino]propanoic acid
CID 82317455
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
3-(2,6-dimethyl-N-prop-2-ynylanilino)propanoic acid
CID 82320215
3-[4-butyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 95532524
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
3-[N-[3-(dimethylamino)propyl]-4-fluoroanilino]propanoic acid
CID 82319968
N,N-dibutyl-2,6-dimethylaniline
CID 100917562

Frequently Asked Questions

What is the IUPAC name of 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid?
The IUPAC name of 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid (CID 82319983) is 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid.
What is the SMILES notation for 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid?
The canonical SMILES for 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid is CCc1cccc(C)c1N(CCCN(C)C)CCC(=O)O.
What is the InChIKey of 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid?
The InChIKey is DFOWJHWLFPERBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15-9-6-8-14(2)17(15)19(13-10-16(20)21)12-7-11-18(3)4/h6,8-9H,5,7,10-13H2,1-4H3,(H,20,21).
What are the key properties of 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid?
3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid has a molecular weight of 292.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid is sourced from PubChem (CID 82319983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).