4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid

C17H25NO4 — CID 94966713

IUPAC4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
SMILESCC(C)Oc1ccc(CCCC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-13(2)22-15-10-8-14(9-11-15)5-3-6-16(19)18-12-4-7-17(20)21/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAOWPUAKXIFQSTF-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.78
Rot. Bonds10

About 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid

4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid (PubChem CID 94966713) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
PubChem CID94966713
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
SMILESCC(C)Oc1ccc(CCCC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-13(2)22-15-10-8-14(9-11-15)5-3-6-16(19)18-12-4-7-17(20)21/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAOWPUAKXIFQSTF-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
CID 134270850
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid?
The IUPAC name of 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid (CID 94966713) is 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid.
What is the SMILES notation for 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid?
The canonical SMILES for 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid is CC(C)Oc1ccc(CCCC(=O)NCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid?
The InChIKey is AOWPUAKXIFQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13(2)22-15-10-8-14(9-11-15)5-3-6-16(19)18-12-4-7-17(20)21/h8-11,13H,3-7,12H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid?
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid is sourced from PubChem (CID 94966713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).