4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide

C17H23Cl2NO3 — CID 60568779

IUPAC4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2NO3/c1-2-20(12-14-5-3-9-22-14)17(21)6-4-10-23-16-8-7-13(18)11-15(16)19/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyLYKGPAHUBCLGRP-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.18
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide

4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 60568779) has the molecular formula C17H23Cl2NO3 and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID60568779
Molecular FormulaC17H23Cl2NO3
Molecular Weight360.28 g/mol
Exact Mass359.11
IUPAC Name4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2NO3/c1-2-20(12-14-5-3-9-22-14)17(21)6-4-10-23-16-8-7-13(18)11-15(16)19/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyLYKGPAHUBCLGRP-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
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
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 55368591
2-(2-bromo-4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 3352017
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120019
1-[4-(2,4-dichlorophenoxy)butanoylamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7470120
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide (CID 60568779) is 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide is CCN(CC1CCCO1)C(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is LYKGPAHUBCLGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO3/c1-2-20(12-14-5-3-9-22-14)17(21)6-4-10-23-16-8-7-13(18)11-15(16)19/h7-8,11,14H,2-6,9-10,12H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide?
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 360.28 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 60568779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).