2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide

C17H24Cl2N2O3 — CID 60535069

IUPAC2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
SMILESCCCNC(=O)CN(CCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2O3/c1-4-8-20-16(22)11-21(9-5-2)17(23)12(3)24-15-7-6-13(18)10-14(15)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
InChIKeyKCUDTSSTQLNCBJ-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.53
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide

2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide (PubChem CID 60535069) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
PubChem CID60535069
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
SMILESCCCNC(=O)CN(CCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2O3/c1-4-8-20-16(22)11-21(9-5-2)17(23)12(3)24-15-7-6-13(18)10-14(15)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
InChIKeyKCUDTSSTQLNCBJ-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
CID 4155805
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
[2-(2-methoxyethylamino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862378
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide (CID 60535069) is 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide is CCCNC(=O)CN(CCC)C(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide?
The InChIKey is KCUDTSSTQLNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3/c1-4-8-20-16(22)11-21(9-5-2)17(23)12(3)24-15-7-6-13(18)10-14(15)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide?
2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide has a molecular weight of 375.30 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide is sourced from PubChem (CID 60535069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).