4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide

C18H25N3O4 — CID 84556329

IUPAC4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)NCCCn2ccnc2)c(OC)c1
InChIInChI=1S/C18H25N3O4/c1-24-14-4-5-15(17(12-14)25-2)16(22)6-7-18(23)20-8-3-10-21-11-9-19-13-21/h4-5,9,11-13,16,22H,3,6-8,10H2,1-2H3,(H,20,23)
InChIKeyYQXJQFDQXGYGTP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.92
Rot. Bonds10

About 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 84556329) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID84556329
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)NCCCn2ccnc2)c(OC)c1
InChIInChI=1S/C18H25N3O4/c1-24-14-4-5-15(17(12-14)25-2)16(22)6-7-18(23)20-8-3-10-21-11-9-19-13-21/h4-5,9,11-13,16,22H,3,6-8,10H2,1-2H3,(H,20,23)
InChIKeyYQXJQFDQXGYGTP-UHFFFAOYSA-N
XLogP1.92
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
CID 18921898
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide (CID 84556329) is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide is COc1ccc(C(O)CCC(=O)NCCCn2ccnc2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is YQXJQFDQXGYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-14-4-5-15(17(12-14)25-2)16(22)6-7-18(23)20-8-3-10-21-11-9-19-13-21/h4-5,9,11-13,16,22H,3,6-8,10H2,1-2H3,(H,20,23).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide?
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 347.42 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 84556329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).