N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide

C13H21N3O — CID 3425823

IUPACN-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13(12-5-2-1-3-6-12)15-7-4-9-16-10-8-14-11-16/h8,10-12H,1-7,9H2,(H,15,17)
InChIKeyAMJKGVRJRNQSOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide

N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide (PubChem CID 3425823) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide
PubChem CID3425823
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCCC1
InChIInChI=1S/C13H21N3O/c17-13(12-5-2-1-3-6-12)15-7-4-9-16-10-8-14-11-16/h8,10-12H,1-7,9H2,(H,15,17)
InChIKeyAMJKGVRJRNQSOH-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide (CID 3425823) is N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide is O=C(NCCCn1ccnc1)C1CCCCC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide?
The InChIKey is AMJKGVRJRNQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(12-5-2-1-3-6-12)15-7-4-9-16-10-8-14-11-16/h8,10-12H,1-7,9H2,(H,15,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide?
N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 3425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).