2-amino-N-(3-imidazol-1-ylphenyl)hexanamide

C15H20N4O — CID 60853484

IUPAC2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-2-3-7-14(16)15(20)18-12-5-4-6-13(10-12)19-9-8-17-11-19/h4-6,8-11,14H,2-3,7,16H2,1H3,(H,18,20)
InChIKeyHWAKMHXGOKLEIW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds6

About 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide

2-amino-N-(3-imidazol-1-ylphenyl)hexanamide (PubChem CID 60853484) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
PubChem CID60853484
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-2-3-7-14(16)15(20)18-12-5-4-6-13(10-12)19-9-8-17-11-19/h4-6,8-11,14H,2-3,7,16H2,1H3,(H,18,20)
InChIKeyHWAKMHXGOKLEIW-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
(2S)-2-amino-N-[3-(2-oxoimidazolidin-1-yl)phenyl]hexanamide
CID 103831459
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 61178728
N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide (CID 60853484) is 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide is CCCCC(N)C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide?
The InChIKey is HWAKMHXGOKLEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-7-14(16)15(20)18-12-5-4-6-13(10-12)19-9-8-17-11-19/h4-6,8-11,14H,2-3,7,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide?
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylphenyl)hexanamide is sourced from PubChem (CID 60853484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).