N-(4-decoxyphenyl)butanamide

C20H33NO2 — CID 143303175

IUPACN-(4-decoxyphenyl)butanamide
SMILESCCCCCCCCCCOc1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-6-7-8-9-10-11-17-23-19-15-13-18(14-16-19)21-20(22)12-4-2/h13-16H,3-12,17H2,1-2H3,(H,21,22)
InChIKeySAVXUKICUKBGBB-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.94
Rot. Bonds13

About N-(4-decoxyphenyl)butanamide

N-(4-decoxyphenyl)butanamide (PubChem CID 143303175) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(4-decoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-decoxyphenyl)butanamide
PubChem CID143303175
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(4-decoxyphenyl)butanamide
SMILESCCCCCCCCCCOc1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-6-7-8-9-10-11-17-23-19-15-13-18(14-16-19)21-20(22)12-4-2/h13-16H,3-12,17H2,1-2H3,(H,21,22)
InChIKeySAVXUKICUKBGBB-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-decoxyphenyl)butanamide 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-(4-butoxyphenyl)butanamide
CID 4939679
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide
CID 17202757
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
[4-[[10-[4-(4-octoxybenzoyl)oxyanilino]-10-oxodecanoyl]amino]phenyl] 4-octoxybenzoate
CID 102213434
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325

Frequently Asked Questions

What is the IUPAC name of N-(4-decoxyphenyl)butanamide?
The IUPAC name of N-(4-decoxyphenyl)butanamide (CID 143303175) is N-(4-decoxyphenyl)butanamide.
What is the SMILES notation for N-(4-decoxyphenyl)butanamide?
The canonical SMILES for N-(4-decoxyphenyl)butanamide is CCCCCCCCCCOc1ccc(NC(=O)CCC)cc1.
What is the InChIKey of N-(4-decoxyphenyl)butanamide?
The InChIKey is SAVXUKICUKBGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-5-6-7-8-9-10-11-17-23-19-15-13-18(14-16-19)21-20(22)12-4-2/h13-16H,3-12,17H2,1-2H3,(H,21,22).
What are the key properties of N-(4-decoxyphenyl)butanamide?
N-(4-decoxyphenyl)butanamide has a molecular weight of 319.49 g/mol, XLogP of 5.94, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-decoxyphenyl)butanamide is sourced from PubChem (CID 143303175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).