4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide

C21H27NO5 — CID 24819647

IUPAC4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C21H27NO5/c1-3-25-17-10-12-18(13-11-17)26-15-6-9-21(23)22-14-16-27-20-8-5-4-7-19(20)24-2/h4-5,7-8,10-13H,3,6,9,14-16H2,1-2H3,(H,22,23)
InChIKeySSMKLDGHZMUSGN-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.45
Rot. Bonds12

About 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide

4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide (PubChem CID 24819647) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
PubChem CID24819647
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C21H27NO5/c1-3-25-17-10-12-18(13-11-17)26-15-6-9-21(23)22-14-16-27-20-8-5-4-7-19(20)24-2/h4-5,7-8,10-13H,3,6,9,14-16H2,1-2H3,(H,22,23)
InChIKeySSMKLDGHZMUSGN-UHFFFAOYSA-N
XLogP3.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
CID 9156443

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide (CID 24819647) is 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide is CCOc1ccc(OCCCC(=O)NCCOc2ccccc2OC)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The InChIKey is SSMKLDGHZMUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-3-25-17-10-12-18(13-11-17)26-15-6-9-21(23)22-14-16-27-20-8-5-4-7-19(20)24-2/h4-5,7-8,10-13H,3,6,9,14-16H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide has a molecular weight of 373.45 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide is sourced from PubChem (CID 24819647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).