4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide

C17H27NO5 — CID 84556248

IUPAC4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
SMILESCCOCCCNC(=O)CCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO5/c1-4-23-11-5-10-18-17(20)9-8-15(19)14-7-6-13(21-2)12-16(14)22-3/h6-7,12,15,19H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyXQTFVWJVXYLSAU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.06
Rot. Bonds11

About 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide

4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide (PubChem CID 84556248) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
PubChem CID84556248
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
SMILESCCOCCCNC(=O)CCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO5/c1-4-23-11-5-10-18-17(20)9-8-15(19)14-7-6-13(21-2)12-16(14)22-3/h6-7,12,15,19H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyXQTFVWJVXYLSAU-UHFFFAOYSA-N
XLogP2.06
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
CID 82315241
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
2-[[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 84556321
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
CID 84556231
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
CID 84555209
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide (CID 84556248) is 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide is CCOCCCNC(=O)CCC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide?
The InChIKey is XQTFVWJVXYLSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-4-23-11-5-10-18-17(20)9-8-15(19)14-7-6-13(21-2)12-16(14)22-3/h6-7,12,15,19H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide?
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide has a molecular weight of 325.41 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide is sourced from PubChem (CID 84556248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).