N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide

C15H19N3O3 — CID 61013976

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2ccnc2)cc1CO
InChIInChI=1S/C15H19N3O3/c1-2-21-14-4-3-13(9-12(14)10-19)17-15(20)5-7-18-8-6-16-11-18/h3-4,6,8-9,11,19H,2,5,7,10H2,1H3,(H,17,20)
InChIKeyDBSUKZZEYODKPP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.80
Rot. Bonds7

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide (PubChem CID 61013976) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
PubChem CID61013976
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2ccnc2)cc1CO
InChIInChI=1S/C15H19N3O3/c1-2-21-14-4-3-13(9-12(14)10-19)17-15(20)5-7-18-8-6-16-11-18/h3-4,6,8-9,11,19H,2,5,7,10H2,1H3,(H,17,20)
InChIKeyDBSUKZZEYODKPP-UHFFFAOYSA-N
XLogP1.80
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
CID 110028082
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide (CID 61013976) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide is CCOc1ccc(NC(=O)CCn2ccnc2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide?
The InChIKey is DBSUKZZEYODKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-14-4-3-13(9-12(14)10-19)17-15(20)5-7-18-8-6-16-11-18/h3-4,6,8-9,11,19H,2,5,7,10H2,1H3,(H,17,20).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 61013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).