N-decyl-3-(4-ethylphenoxy)propanamide

C21H35NO2 — CID 108795844

IUPACN-decyl-3-(4-ethylphenoxy)propanamide
SMILESCCCCCCCCCCNC(=O)CCOc1ccc(CC)cc1
InChIInChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-17-22-21(23)16-18-24-20-14-12-19(4-2)13-15-20/h12-15H,3-11,16-18H2,1-2H3,(H,22,23)
InChIKeyQXMXWIDTQUZYOY-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.27
Rot. Bonds14

About N-decyl-3-(4-ethylphenoxy)propanamide

N-decyl-3-(4-ethylphenoxy)propanamide (PubChem CID 108795844) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-decyl-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-decyl-3-(4-ethylphenoxy)propanamide
PubChem CID108795844
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC NameN-decyl-3-(4-ethylphenoxy)propanamide
SMILESCCCCCCCCCCNC(=O)CCOc1ccc(CC)cc1
InChIInChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-17-22-21(23)16-18-24-20-14-12-19(4-2)13-15-20/h12-15H,3-11,16-18H2,1-2H3,(H,22,23)
InChIKeyQXMXWIDTQUZYOY-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
3-[4-(4-hydroxyphenoxy)phenoxy]-N-(octadecylcarbamoyl)propanamide
CID 18183886
4-butoxy-N-hexadecylbenzamide
CID 4936106
1-[3-[4-(4-hydroxyphenoxy)phenoxy]propanoylamino]-3-octadecylurea
CID 18183906
2-[6-[[2-(4-butoxyphenyl)acetyl]amino]hexanoyloxy]ethyl-trimethylazanium iodide
CID 10369846
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296

Frequently Asked Questions

What is the IUPAC name of N-decyl-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-decyl-3-(4-ethylphenoxy)propanamide (CID 108795844) is N-decyl-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-decyl-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-decyl-3-(4-ethylphenoxy)propanamide is CCCCCCCCCCNC(=O)CCOc1ccc(CC)cc1.
What is the InChIKey of N-decyl-3-(4-ethylphenoxy)propanamide?
The InChIKey is QXMXWIDTQUZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-17-22-21(23)16-18-24-20-14-12-19(4-2)13-15-20/h12-15H,3-11,16-18H2,1-2H3,(H,22,23).
What are the key properties of N-decyl-3-(4-ethylphenoxy)propanamide?
N-decyl-3-(4-ethylphenoxy)propanamide has a molecular weight of 333.52 g/mol, XLogP of 5.27, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108795844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).