ethyl 3-(4-propoxyanilino)butanoate

C15H23NO3 — CID 62328151

IUPACethyl 3-(4-propoxyanilino)butanoate
SMILESCCCOc1ccc(NC(C)CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO3/c1-4-10-19-14-8-6-13(7-9-14)16-12(3)11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyBQBYADQRGPCDFA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds8

About ethyl 3-(4-propoxyanilino)butanoate

ethyl 3-(4-propoxyanilino)butanoate (PubChem CID 62328151) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-(4-propoxyanilino)butanoate.

Molecular Properties

Compound Nameethyl 3-(4-propoxyanilino)butanoate
PubChem CID62328151
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-(4-propoxyanilino)butanoate
SMILESCCCOc1ccc(NC(C)CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO3/c1-4-10-19-14-8-6-13(7-9-14)16-12(3)11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyBQBYADQRGPCDFA-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze ethyl 3-(4-propoxyanilino)butanoate 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

N-butan-2-yl-4-propoxyaniline
CID 21311789
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-hexan-2-yl-4-propoxyaniline
CID 21311820
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-propoxyanilino)butanoate?
The IUPAC name of ethyl 3-(4-propoxyanilino)butanoate (CID 62328151) is ethyl 3-(4-propoxyanilino)butanoate.
What is the SMILES notation for ethyl 3-(4-propoxyanilino)butanoate?
The canonical SMILES for ethyl 3-(4-propoxyanilino)butanoate is CCCOc1ccc(NC(C)CC(=O)OCC)cc1.
What is the InChIKey of ethyl 3-(4-propoxyanilino)butanoate?
The InChIKey is BQBYADQRGPCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-19-14-8-6-13(7-9-14)16-12(3)11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 3-(4-propoxyanilino)butanoate?
ethyl 3-(4-propoxyanilino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-propoxyanilino)butanoate is sourced from PubChem (CID 62328151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).