N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide

C13H24N4O — CID 79985501

IUPACN-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNCCc1cn(CC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-5-14-7-6-11-8-17(10-15-11)9-12(18)16-13(2,3)4/h8,10,14H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyYGVSHYAFXAKTEL-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.95
Rot. Bonds6

About N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide

N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide (PubChem CID 79985501) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
PubChem CID79985501
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNCCc1cn(CC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-5-14-7-6-11-8-17(10-15-11)9-12(18)16-13(2,3)4/h8,10,14H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyYGVSHYAFXAKTEL-UHFFFAOYSA-N
XLogP0.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide (CID 79985501) is N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide is CCNCCc1cn(CC(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The InChIKey is YGVSHYAFXAKTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-14-7-6-11-8-17(10-15-11)9-12(18)16-13(2,3)4/h8,10,14H,5-7,9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 79985501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).