6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide

C17H22N4O2 — CID 47062510

IUPAC6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H22N4O2/c1-14(22)19-9-4-2-3-8-17(23)20-15-6-5-7-16(12-15)21-11-10-18-13-21/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVLGASFFMMFHJP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.51
Rot. Bonds8

About 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide

6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide (PubChem CID 47062510) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
PubChem CID47062510
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H22N4O2/c1-14(22)19-9-4-2-3-8-17(23)20-15-6-5-7-16(12-15)21-11-10-18-13-21/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVLGASFFMMFHJP-UHFFFAOYSA-N
XLogP2.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
CID 43697127
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
2-[4-(6-acetamidohexanoylamino)-2-fluorophenyl]acetic acid
CID 122110097
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide?
The IUPAC name of 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide (CID 47062510) is 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide is CC(=O)NCCCCCC(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide?
The InChIKey is YVLGASFFMMFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14(22)19-9-4-2-3-8-17(23)20-15-6-5-7-16(12-15)21-11-10-18-13-21/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide?
6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide has a molecular weight of 314.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide is sourced from PubChem (CID 47062510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).