3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide

C14H21N3O — CID 68974262

IUPAC3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide
SMILESCc1ncc(C=CC(=O)N(C)C)n1C1CCCC1
InChIInChI=1S/C14H21N3O/c1-11-15-10-13(8-9-14(18)16(2)3)17(11)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyJYFMVRHXFYEYIY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds3

About 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide

3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide (PubChem CID 68974262) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide
PubChem CID68974262
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide
SMILESCc1ncc(C=CC(=O)N(C)C)n1C1CCCC1
InChIInChI=1S/C14H21N3O/c1-11-15-10-13(8-9-14(18)16(2)3)17(11)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyJYFMVRHXFYEYIY-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide 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 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide (CID 68974262) is 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide is Cc1ncc(C=CC(=O)N(C)C)n1C1CCCC1.
What is the InChIKey of 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is JYFMVRHXFYEYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-15-10-13(8-9-14(18)16(2)3)17(11)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide?
3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-2-methylimidazol-4-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 68974262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).