2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide

C20H24ClNO3 — CID 133239975

IUPAC2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-3-15-8-10-17(11-9-15)24-13-12-22-20(23)19(4-2)25-18-7-5-6-16(21)14-18/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyWUTPEQJEPAKOEH-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.26
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide

2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide (PubChem CID 133239975) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
PubChem CID133239975
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-3-15-8-10-17(11-9-15)24-13-12-22-20(23)19(4-2)25-18-7-5-6-16(21)14-18/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyWUTPEQJEPAKOEH-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.26
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

2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240477
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide (CID 133239975) is 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide is CCc1ccc(OCCNC(=O)C(CC)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
The InChIKey is WUTPEQJEPAKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-3-15-8-10-17(11-9-15)24-13-12-22-20(23)19(4-2)25-18-7-5-6-16(21)14-18/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide?
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide has a molecular weight of 361.87 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133239975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).