N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide

C15H17N3O2 — CID 24761534

IUPACN-(3-acetylphenyl)-3-imidazol-1-ylbutanamide
SMILESCC(=O)c1cccc(NC(=O)CC(C)n2ccnc2)c1
InChIInChI=1S/C15H17N3O2/c1-11(18-7-6-16-10-18)8-15(20)17-14-5-3-4-13(9-14)12(2)19/h3-7,9-11H,8H2,1-2H3,(H,17,20)
InChIKeyHNCKEACDBKODND-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.68
Rot. Bonds5

About N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide

N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide (PubChem CID 24761534) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-imidazol-1-ylbutanamide
PubChem CID24761534
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-acetylphenyl)-3-imidazol-1-ylbutanamide
SMILESCC(=O)c1cccc(NC(=O)CC(C)n2ccnc2)c1
InChIInChI=1S/C15H17N3O2/c1-11(18-7-6-16-10-18)8-15(20)17-14-5-3-4-13(9-14)12(2)19/h3-7,9-11H,8H2,1-2H3,(H,17,20)
InChIKeyHNCKEACDBKODND-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide?
The IUPAC name of N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide (CID 24761534) is N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide is CC(=O)c1cccc(NC(=O)CC(C)n2ccnc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide?
The InChIKey is HNCKEACDBKODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(18-7-6-16-10-18)8-15(20)17-14-5-3-4-13(9-14)12(2)19/h3-7,9-11H,8H2,1-2H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide?
N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide has a molecular weight of 271.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 24761534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).