4-[4-(4-propylphenyl)butanoylamino]butanoic acid

C17H25NO3 — CID 82224500

IUPAC4-[4-(4-propylphenyl)butanoylamino]butanoic acid
SMILESCCCc1ccc(CCCC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-2-5-14-9-11-15(12-10-14)6-3-7-16(19)18-13-4-8-17(20)21/h9-12H,2-8,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyREXUPVGRIIPRIS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.94
Rot. Bonds10

About 4-[4-(4-propylphenyl)butanoylamino]butanoic acid

4-[4-(4-propylphenyl)butanoylamino]butanoic acid (PubChem CID 82224500) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)butanoylamino]butanoic acid
PubChem CID82224500
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[4-(4-propylphenyl)butanoylamino]butanoic acid
SMILESCCCc1ccc(CCCC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-2-5-14-9-11-15(12-10-14)6-3-7-16(19)18-13-4-8-17(20)21/h9-12H,2-8,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyREXUPVGRIIPRIS-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)butanoylamino]butanoic acid?
The IUPAC name of 4-[4-(4-propylphenyl)butanoylamino]butanoic acid (CID 82224500) is 4-[4-(4-propylphenyl)butanoylamino]butanoic acid.
What is the SMILES notation for 4-[4-(4-propylphenyl)butanoylamino]butanoic acid?
The canonical SMILES for 4-[4-(4-propylphenyl)butanoylamino]butanoic acid is CCCc1ccc(CCCC(=O)NCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)butanoylamino]butanoic acid?
The InChIKey is REXUPVGRIIPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-5-14-9-11-15(12-10-14)6-3-7-16(19)18-13-4-8-17(20)21/h9-12H,2-8,13H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[4-(4-propylphenyl)butanoylamino]butanoic acid?
4-[4-(4-propylphenyl)butanoylamino]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)butanoylamino]butanoic acid is sourced from PubChem (CID 82224500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).