4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide

C16H22Cl2N2O3 — CID 55368591

IUPAC4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
SMILESCCNC(=O)CN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-3-19-15(21)11-20(4-2)16(22)6-5-9-23-14-8-7-12(17)10-13(14)18/h7-8,10H,3-6,9,11H2,1-2H3,(H,19,21)
InChIKeyNRLCCHVBMOCDDM-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.14
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide

4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide (PubChem CID 55368591) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
PubChem CID55368591
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
SMILESCCNC(=O)CN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-3-19-15(21)11-20(4-2)16(22)6-5-9-23-14-8-7-12(17)10-13(14)18/h7-8,10H,3-6,9,11H2,1-2H3,(H,19,21)
InChIKeyNRLCCHVBMOCDDM-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propylbutanamide
CID 162432622
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
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-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
2-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566578
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
CID 57098621
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide (CID 55368591) is 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide is CCNC(=O)CN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The InChIKey is NRLCCHVBMOCDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-3-19-15(21)11-20(4-2)16(22)6-5-9-23-14-8-7-12(17)10-13(14)18/h7-8,10H,3-6,9,11H2,1-2H3,(H,19,21).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide?
4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide has a molecular weight of 361.27 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 55368591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).