N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide

C18H23N3O — CID 167796631

IUPACN-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCCn2ccnc2)(c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-17(2)12-18(13-17,15-6-4-3-5-7-15)16(22)20-9-11-21-10-8-19-14-21/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,22)
InChIKeyUQAIGEPNHLBGIO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.76
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide

N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 167796631) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
PubChem CID167796631
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCCn2ccnc2)(c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-17(2)12-18(13-17,15-6-4-3-5-7-15)16(22)20-9-11-21-10-8-19-14-21/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,22)
InChIKeyUQAIGEPNHLBGIO-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 110273886
1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 110438464
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856253
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712
2-imidazol-1-ylethylurea
CID 61061185

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide (CID 167796631) is N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide is CC1(C)CC(C(=O)NCCn2ccnc2)(c2ccccc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is UQAIGEPNHLBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-17(2)12-18(13-17,15-6-4-3-5-7-15)16(22)20-9-11-21-10-8-19-14-21/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide?
N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 167796631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).