4-[4-anilinobutyl(methyl)amino]butanoic acid

C15H24N2O2 — CID 141217788

IUPAC4-[4-anilinobutyl(methyl)amino]butanoic acid
SMILESCN(CCCCNc1ccccc1)CCCC(=O)O
InChIInChI=1S/C15H24N2O2/c1-17(13-7-10-15(18)19)12-6-5-11-16-14-8-3-2-4-9-14/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyFONPTKMZCYGJAQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.68
Rot. Bonds10

About 4-[4-anilinobutyl(methyl)amino]butanoic acid

4-[4-anilinobutyl(methyl)amino]butanoic acid (PubChem CID 141217788) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-anilinobutyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[4-anilinobutyl(methyl)amino]butanoic acid
PubChem CID141217788
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[4-anilinobutyl(methyl)amino]butanoic acid
SMILESCN(CCCCNc1ccccc1)CCCC(=O)O
InChIInChI=1S/C15H24N2O2/c1-17(13-7-10-15(18)19)12-6-5-11-16-14-8-3-2-4-9-14/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyFONPTKMZCYGJAQ-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-anilinopentanoic acid
CID 28972030
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
3-anilino-N,N-dimethylpropanamide
CID 60961994
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
4-anilinobutanamide
CID 67066705
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
CID 11674321
4-[[8-(4-carbamoylanilino)-8-oxooctyl]-methylamino]butanoic acid
CID 91585765

Frequently Asked Questions

What is the IUPAC name of 4-[4-anilinobutyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[4-anilinobutyl(methyl)amino]butanoic acid (CID 141217788) is 4-[4-anilinobutyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[4-anilinobutyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[4-anilinobutyl(methyl)amino]butanoic acid is CN(CCCCNc1ccccc1)CCCC(=O)O.
What is the InChIKey of 4-[4-anilinobutyl(methyl)amino]butanoic acid?
The InChIKey is FONPTKMZCYGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(13-7-10-15(18)19)12-6-5-11-16-14-8-3-2-4-9-14/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19).
What are the key properties of 4-[4-anilinobutyl(methyl)amino]butanoic acid?
4-[4-anilinobutyl(methyl)amino]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-anilinobutyl(methyl)amino]butanoic acid is sourced from PubChem (CID 141217788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).