N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C20H28N4O2 — CID 134039843

IUPACN-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15(23-19(26)20(2,3)4)18(25)22-11-10-17-21-12-13-24(17)14-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyGUEJRVYIZUBNLM-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.14
Rot. Bonds7

About N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 134039843) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID134039843
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15(23-19(26)20(2,3)4)18(25)22-11-10-17-21-12-13-24(17)14-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyGUEJRVYIZUBNLM-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
2-[[N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111383571
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 134039843) is N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is GUEJRVYIZUBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(23-19(26)20(2,3)4)18(25)22-11-10-17-21-12-13-24(17)14-16-8-6-5-7-9-16/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134039843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).