4-(4-ethoxyphenoxy)-2-(propylamino)butanamide

C15H24N2O3 — CID 63039148

IUPAC4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1ccc(OCC)cc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-3-10-17-14(15(16)18)9-11-20-13-7-5-12(6-8-13)19-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H2,16,18)
InChIKeyBVABSURPILMSCK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide

4-(4-ethoxyphenoxy)-2-(propylamino)butanamide (PubChem CID 63039148) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
PubChem CID63039148
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1ccc(OCC)cc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-3-10-17-14(15(16)18)9-11-20-13-7-5-12(6-8-13)19-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H2,16,18)
InChIKeyBVABSURPILMSCK-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
2-(ethylamino)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040484
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
4-(4-ethoxyphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82322530
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
4-(2-methyl-3-nitrophenoxy)-2-(propylamino)butanamide
CID 63041100

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide (CID 63039148) is 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide is CCCNC(CCOc1ccc(OCC)cc1)C(N)=O.
What is the InChIKey of 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide?
The InChIKey is BVABSURPILMSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-10-17-14(15(16)18)9-11-20-13-7-5-12(6-8-13)19-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H2,16,18).
What are the key properties of 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide?
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-2-(propylamino)butanamide is sourced from PubChem (CID 63039148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).