4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide

C15H21Cl2NO2 — CID 162432622

IUPAC4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-3-9-18(4-2)15(19)6-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUNELSEMHBSLJFM-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.41
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide

4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide (PubChem CID 162432622) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
PubChem CID162432622
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-3-9-18(4-2)15(19)6-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUNELSEMHBSLJFM-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 55368591
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
CID 57098621
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
CID 84559248
N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
CID 43911644
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide (CID 162432622) is 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide is CCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide?
The InChIKey is UNELSEMHBSLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-3-9-18(4-2)15(19)6-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide?
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide has a molecular weight of 318.24 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide is sourced from PubChem (CID 162432622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).