3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide

C18H28N2O3 — CID 113123119

IUPAC3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(OCC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-4-6-7-13-20(15(3)21)14-12-18(22)19-16-8-10-17(11-9-16)23-5-2/h8-11H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyZXAUBLHMIYEMJV-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.45
Rot. Bonds10

About 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide

3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 113123119) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
PubChem CID113123119
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(OCC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-4-6-7-13-20(15(3)21)14-12-18(22)19-16-8-10-17(11-9-16)23-5-2/h8-11H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyZXAUBLHMIYEMJV-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide 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

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
ethyl 4-[3-[acetyl(butyl)amino]propanoylamino]benzoate
CID 113115882
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113120119
N-(4-butoxyphenyl)butanamide
CID 4939679
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
N-(4-decoxyphenyl)butanamide
CID 143303175
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide (CID 113123119) is 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide is CCCCCN(CCC(=O)Nc1ccc(OCC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is ZXAUBLHMIYEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-6-7-13-20(15(3)21)14-12-18(22)19-16-8-10-17(11-9-16)23-5-2/h8-11H,4-7,12-14H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide?
3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113123119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).