N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C21H30N4O2 — CID 134039836

IUPACN-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)20(27)24-12-7-10-19(26)23-13-11-18-22-14-15-25(18)16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQPKPSDVEZOLWPO-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.53
Rot. Bonds9

About N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 134039836) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID134039836
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)20(27)24-12-7-10-19(26)23-13-11-18-22-14-15-25(18)16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQPKPSDVEZOLWPO-UHFFFAOYSA-N
XLogP2.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
2-[[N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111383571
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 134039836) is N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is QPKPSDVEZOLWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)20(27)24-12-7-10-19(26)23-13-11-18-22-14-15-25(18)16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134039836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).