N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide

C23H36N4O2 — CID 67650465

IUPACN-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide
SMILESCCCCCCNC(=O)Cc1ccc(C(C)CNC(O)CCn2ccnc2)cc1
InChIInChI=1S/C23H36N4O2/c1-3-4-5-6-12-25-23(29)16-20-7-9-21(10-8-20)19(2)17-26-22(28)11-14-27-15-13-24-18-27/h7-10,13,15,18-19,22,26,28H,3-6,11-12,14,16-17H2,1-2H3,(H,25,29)
InChIKeyIHZZRQDAGJKFOO-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.22
Rot. Bonds14

About N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide

N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide (PubChem CID 67650465) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide
PubChem CID67650465
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide
SMILESCCCCCCNC(=O)Cc1ccc(C(C)CNC(O)CCn2ccnc2)cc1
InChIInChI=1S/C23H36N4O2/c1-3-4-5-6-12-25-23(29)16-20-7-9-21(10-8-20)19(2)17-26-22(28)11-14-27-15-13-24-18-27/h7-10,13,15,18-19,22,26,28H,3-6,11-12,14,16-17H2,1-2H3,(H,25,29)
InChIKeyIHZZRQDAGJKFOO-UHFFFAOYSA-N
XLogP3.22
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
tert-butyl N-[4-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]phenyl]carbamate
CID 39977884
propyl 2-[4-[1-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
CID 57219853
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-[(4-imidazol-1-ylbutylcarbamoylamino)methyl]pentanoic acid
CID 65222765
carbonic acid;1-dodecylimidazole
CID 175596781

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide?
The IUPAC name of N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide (CID 67650465) is N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide.
What is the SMILES notation for N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide?
The canonical SMILES for N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide is CCCCCCNC(=O)Cc1ccc(C(C)CNC(O)CCn2ccnc2)cc1.
What is the InChIKey of N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide?
The InChIKey is IHZZRQDAGJKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-3-4-5-6-12-25-23(29)16-20-7-9-21(10-8-20)19(2)17-26-22(28)11-14-27-15-13-24-18-27/h7-10,13,15,18-19,22,26,28H,3-6,11-12,14,16-17H2,1-2H3,(H,25,29).
What are the key properties of N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide?
N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 3.22, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[4-[1-[(1-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]phenyl]acetamide is sourced from PubChem (CID 67650465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).