N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide

C12H21N3O — CID 58592865

IUPACN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C12H21N3O/c1-5-11(16)13-6-7-15-8-14-12(9(2)3)10(15)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyAYODARKKPRMMSB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide

N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide (PubChem CID 58592865) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide
PubChem CID58592865
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C12H21N3O/c1-5-11(16)13-6-7-15-8-14-12(9(2)3)10(15)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyAYODARKKPRMMSB-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide 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-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide (CID 58592865) is N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide is CCC(=O)NCCn1cnc(C(C)C)c1C.
What is the InChIKey of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide?
The InChIKey is AYODARKKPRMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-11(16)13-6-7-15-8-14-12(9(2)3)10(15)4/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide?
N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 58592865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).