N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide

C11H18N4O — CID 106562369

IUPACN-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C)cn1C1CC1
InChIInChI=1S/C11H18N4O/c1-8-7-15(10-3-4-10)11(14-8)13-6-5-12-9(2)16/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyFXPUWVCDJNQBNN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.07
Rot. Bonds5

About N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide

N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide (PubChem CID 106562369) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
PubChem CID106562369
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C)cn1C1CC1
InChIInChI=1S/C11H18N4O/c1-8-7-15(10-3-4-10)11(14-8)13-6-5-12-9(2)16/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyFXPUWVCDJNQBNN-UHFFFAOYSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide (CID 106562369) is N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(C)cn1C1CC1.
What is the InChIKey of N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide?
The InChIKey is FXPUWVCDJNQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-15(10-3-4-10)11(14-8)13-6-5-12-9(2)16/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide?
N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 106562369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).