N-(4-butylphenyl)-2-ethoxyacetamide

C14H21NO2 — CID 2162873

IUPACN-(4-butylphenyl)-2-ethoxyacetamide
SMILESCCCCc1ccc(NC(=O)COCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-6-12-7-9-13(10-8-12)15-14(16)11-17-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyQSXDVGMEBSSGPR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds7

About N-(4-butylphenyl)-2-ethoxyacetamide

N-(4-butylphenyl)-2-ethoxyacetamide (PubChem CID 2162873) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-ethoxyacetamide
PubChem CID2162873
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-butylphenyl)-2-ethoxyacetamide
SMILESCCCCc1ccc(NC(=O)COCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-6-12-7-9-13(10-8-12)15-14(16)11-17-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyQSXDVGMEBSSGPR-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-butylphenyl)-2-ethoxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-ethoxyacetamide?
The IUPAC name of N-(4-butylphenyl)-2-ethoxyacetamide (CID 2162873) is N-(4-butylphenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-ethoxyacetamide is CCCCc1ccc(NC(=O)COCC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-ethoxyacetamide?
The InChIKey is QSXDVGMEBSSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-6-12-7-9-13(10-8-12)15-14(16)11-17-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16).
What are the key properties of N-(4-butylphenyl)-2-ethoxyacetamide?
N-(4-butylphenyl)-2-ethoxyacetamide has a molecular weight of 235.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 2162873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).