N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide

C15H19N3O3 — CID 3979641

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3O3/c1-20-13-5-2-3-6-14(13)21-11-15(19)17-7-4-9-18-10-8-16-12-18/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,17,19)
InChIKeyVLERREFFMXMTHO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.48
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide

N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 3979641) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID3979641
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3O3/c1-20-13-5-2-3-6-14(13)21-11-15(19)17-7-4-9-18-10-8-16-12-18/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,17,19)
InChIKeyVLERREFFMXMTHO-UHFFFAOYSA-N
XLogP1.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.48
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

1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[4-(2-methoxyphenoxy)-2-butyn-1-yl]-1H-imidazole oxalate
CID 2961397
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4885534
2-(2-fluorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 6500020
N-(2-(1H-imidazol-4-yl)ethyl)-2-phenoxyacetamide
CID 10037511
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]-2-methylpropanamide
CID 645577
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 6618778
Ethyl 4-[2-(1-imidazolyl)ethoxy]phenoxyacetate
CID 13569180
4-[2-(1-Imidazolyl)ethoxy]phenoxyacetamide
CID 13569202
2-(4-Fluoro-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 24793362
Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-((2-methoxyphenoxy)methyl)-
CID 3025456
1-[2-(4-ethoxyphenoxy)ethyl]-1H-imidazole
CID 803901

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide (CID 3979641) is N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VLERREFFMXMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-13-5-2-3-6-14(13)21-11-15(19)17-7-4-9-18-10-8-16-12-18/h2-3,5-6,8,10,12H,4,7,9,11H2,1H3,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 3979641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).