N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide

C17H25Cl2NO2 — CID 4155805

IUPACN,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
SMILESCCCCN(CCCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO2/c1-4-6-10-20(11-7-5-2)17(21)13(3)22-16-9-8-14(18)12-15(16)19/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeySGYFAFIWSCPDQY-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.19
Rot. Bonds9

About N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide

N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 4155805) has the molecular formula C17H25Cl2NO2 and a molecular weight of 346.30 g/mol. Its IUPAC name is N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
PubChem CID4155805
Molecular FormulaC17H25Cl2NO2
Molecular Weight346.30 g/mol
Exact Mass345.13
IUPAC NameN,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
SMILESCCCCN(CCCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO2/c1-4-6-10-20(11-7-5-2)17(21)13(3)22-16-9-8-14(18)12-15(16)19/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeySGYFAFIWSCPDQY-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
CID 60535069
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-butoxyethyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 76970477
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide (CID 4155805) is N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide is CCCCN(CCCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is SGYFAFIWSCPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2/c1-4-6-10-20(11-7-5-2)17(21)13(3)22-16-9-8-14(18)12-15(16)19/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide?
N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 346.30 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 4155805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).