N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

C17H27N3O — CID 19593188

IUPACN-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCCC1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(15-9-10-15)20(16-12-18-13-19-16)11-5-4-8-14-6-2-1-3-7-14/h12-15H,1-11H2,(H,18,19)
InChIKeyBOIHXWDBOMGDOP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds7

About N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (PubChem CID 19593188) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
PubChem CID19593188
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCCC1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(15-9-10-15)20(16-12-18-13-19-16)11-5-4-8-14-6-2-1-3-7-14/h12-15H,1-11H2,(H,18,19)
InChIKeyBOIHXWDBOMGDOP-UHFFFAOYSA-N
XLogP3.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (CID 19593188) is N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is O=C(C1CC1)N(CCCCC1CCCCC1)c1cnc[nH]1.
What is the InChIKey of N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is BOIHXWDBOMGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(15-9-10-15)20(16-12-18-13-19-16)11-5-4-8-14-6-2-1-3-7-14/h12-15H,1-11H2,(H,18,19).
What are the key properties of N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 19593188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).