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

C15H23NO3 — CID 82352334

IUPAC3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
SMILESCCN(CC)C(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)13(11-15(17)18)10-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyFEFITFCNNRXALC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds8

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

3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid (PubChem CID 82352334) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
PubChem CID82352334
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
SMILESCCN(CC)C(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)13(11-15(17)18)10-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyFEFITFCNNRXALC-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
3-(diethylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82352356
3-(diethylamino)-4-(4-propoxyphenyl)butanoic acid
CID 82352352
3-(diethylamino)-4-(4-propylphenyl)butanoic acid
CID 82352486
3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)butanoic acid
CID 82352335
4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 82352266
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
N-[2-(diethylamino)-3-phenylpropyl]-2-(4-methoxyphenoxy)propanamide
CID 46447662
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
3-(dibutylamino)-4-phenylbutanoic acid
CID 82352183

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid (CID 82352334) is 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid is CCN(CC)C(CC(=O)O)Cc1ccc(OC)cc1.
What is the InChIKey of 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is FEFITFCNNRXALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)13(11-15(17)18)10-12-6-8-14(19-3)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid?
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82352334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).