3-(diethylamino)-4-(4-propylphenyl)butanoic acid

C17H27NO2 — CID 82352486

IUPAC3-(diethylamino)-4-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(CC(CC(=O)O)N(CC)CC)cc1
InChIInChI=1S/C17H27NO2/c1-4-7-14-8-10-15(11-9-14)12-16(13-17(19)20)18(5-2)6-3/h8-11,16H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyYVOLGESOXFCCIM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.37
Rot. Bonds9

About 3-(diethylamino)-4-(4-propylphenyl)butanoic acid

3-(diethylamino)-4-(4-propylphenyl)butanoic acid (PubChem CID 82352486) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(diethylamino)-4-(4-propylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-4-(4-propylphenyl)butanoic acid
PubChem CID82352486
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(diethylamino)-4-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(CC(CC(=O)O)N(CC)CC)cc1
InChIInChI=1S/C17H27NO2/c1-4-7-14-8-10-15(11-9-14)12-16(13-17(19)20)18(5-2)6-3/h8-11,16H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyYVOLGESOXFCCIM-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
3-(diethylamino)-4-(4-propoxyphenyl)butanoic acid
CID 82352352
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
3-(diethylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82352356
4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 82352266
3-(dibutylamino)-4-phenylbutanoic acid
CID 82352183
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
2-(N-methyl-4-propylanilino)butanedioic acid
CID 115144318
3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
CID 82351006
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
CID 62827439
2-(diethylamino)-3-(4-ethylphenyl)propanoic acid
CID 83969905
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-(4-propylphenyl)butanoic acid?
The IUPAC name of 3-(diethylamino)-4-(4-propylphenyl)butanoic acid (CID 82352486) is 3-(diethylamino)-4-(4-propylphenyl)butanoic acid.
What is the SMILES notation for 3-(diethylamino)-4-(4-propylphenyl)butanoic acid?
The canonical SMILES for 3-(diethylamino)-4-(4-propylphenyl)butanoic acid is CCCc1ccc(CC(CC(=O)O)N(CC)CC)cc1.
What is the InChIKey of 3-(diethylamino)-4-(4-propylphenyl)butanoic acid?
The InChIKey is YVOLGESOXFCCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-7-14-8-10-15(11-9-14)12-16(13-17(19)20)18(5-2)6-3/h8-11,16H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of 3-(diethylamino)-4-(4-propylphenyl)butanoic acid?
3-(diethylamino)-4-(4-propylphenyl)butanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-(4-propylphenyl)butanoic acid is sourced from PubChem (CID 82352486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).