3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide

C14H17N3O2 — CID 24761487

IUPAC3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2ccnc2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(17-8-7-15-10-17)9-14(18)16-12-3-5-13(19-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,16,18)
InChIKeyAZTBKEKVHXSPOY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds5

About 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide

3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide (PubChem CID 24761487) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide
PubChem CID24761487
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2ccnc2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(17-8-7-15-10-17)9-14(18)16-12-3-5-13(19-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,16,18)
InChIKeyAZTBKEKVHXSPOY-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide (CID 24761487) is 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CC(C)n2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide?
The InChIKey is AZTBKEKVHXSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(17-8-7-15-10-17)9-14(18)16-12-3-5-13(19-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,16,18).
What are the key properties of 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide?
3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 24761487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).