N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide

C16H21N3O — CID 110463413

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-16(2,14-7-4-3-5-8-14)15(20)18-9-6-11-19-12-10-17-13-19/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,20)
InChIKeyGMUVFIOINPKIJO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide

N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide (PubChem CID 110463413) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
PubChem CID110463413
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-16(2,14-7-4-3-5-8-14)15(20)18-9-6-11-19-12-10-17-13-19/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,20)
InChIKeyGMUVFIOINPKIJO-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
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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Related Compounds

N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-imidazol-1-ylpropyl)guanidine
CID 109417756
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51328575
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]urea
CID 95294802
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
CID 134809431
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide (CID 110463413) is N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCCCn1ccnc1)c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide?
The InChIKey is GMUVFIOINPKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,14-7-4-3-5-8-14)15(20)18-9-6-11-19-12-10-17-13-19/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.37, 6 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)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 110463413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).