3-(2-chlorophenoxy)-N-decylpropanamide

C19H30ClNO2 — CID 108789478

IUPAC3-(2-chlorophenoxy)-N-decylpropanamide
SMILESCCCCCCCCCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-11-15-21-19(22)14-16-23-18-13-10-9-12-17(18)20/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,21,22)
InChIKeyINVSOSDRCLLPAS-UHFFFAOYSA-N
MW339.91 g/mol
LogP5.37
Rot. Bonds13

About 3-(2-chlorophenoxy)-N-decylpropanamide

3-(2-chlorophenoxy)-N-decylpropanamide (PubChem CID 108789478) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-decylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-decylpropanamide
PubChem CID108789478
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name3-(2-chlorophenoxy)-N-decylpropanamide
SMILESCCCCCCCCCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-11-15-21-19(22)14-16-23-18-13-10-9-12-17(18)20/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,21,22)
InChIKeyINVSOSDRCLLPAS-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 55.37
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

3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-decylpropanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-decylpropanamide (CID 108789478) is 3-(2-chlorophenoxy)-N-decylpropanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-decylpropanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-decylpropanamide is CCCCCCCCCCNC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-decylpropanamide?
The InChIKey is INVSOSDRCLLPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-11-15-21-19(22)14-16-23-18-13-10-9-12-17(18)20/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,21,22).
What are the key properties of 3-(2-chlorophenoxy)-N-decylpropanamide?
3-(2-chlorophenoxy)-N-decylpropanamide has a molecular weight of 339.91 g/mol, XLogP of 5.37, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-decylpropanamide is sourced from PubChem (CID 108789478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).