N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide

C26H34N4O2 — CID 11743656

IUPACN-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C
InChIInChI=1S/C26H34N4O2/c1-4-5-7-16-25(31)28-26-23(29(2)3)14-10-15-24(26)32-18-11-17-30-19-22(27-20-30)21-12-8-6-9-13-21/h6,8-10,12-15,19-20H,4-5,7,11,16-18H2,1-3H3,(H,28,31)
InChIKeyJJZDMZHYPPAQNX-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.60
Rot. Bonds12

About N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide

N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide (PubChem CID 11743656) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide
PubChem CID11743656
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C
InChIInChI=1S/C26H34N4O2/c1-4-5-7-16-25(31)28-26-23(29(2)3)14-10-15-24(26)32-18-11-17-30-19-22(27-20-30)21-12-8-6-9-13-21/h6,8-10,12-15,19-20H,4-5,7,11,16-18H2,1-3H3,(H,28,31)
InChIKeyJJZDMZHYPPAQNX-UHFFFAOYSA-N
XLogP5.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.60
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide?
The IUPAC name of N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide (CID 11743656) is N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide.
What is the SMILES notation for N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide?
The canonical SMILES for N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide is CCCCCC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide?
The InChIKey is JJZDMZHYPPAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-5-7-16-25(31)28-26-23(29(2)3)14-10-15-24(26)32-18-11-17-30-19-22(27-20-30)21-12-8-6-9-13-21/h6,8-10,12-15,19-20H,4-5,7,11,16-18H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide?
N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide has a molecular weight of 434.58 g/mol, XLogP of 5.60, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]hexanamide is sourced from PubChem (CID 11743656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).