N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

C25H17N3O — CID 20627058

IUPACN-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC1=NCCN1CCNC(=O)CC
InChIInChI=1S/C25H17N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26-20-22-28(24)23-21-27-25(29)4-2/h4,20-23H2,1-2H3,(H,27,29)
InChIKeyTUEKAKANFPHBSL-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.27
Rot. Bonds4

About N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (PubChem CID 20627058) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
PubChem CID20627058
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC NameN-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC1=NCCN1CCNC(=O)CC
InChIInChI=1S/C25H17N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26-20-22-28(24)23-21-27-25(29)4-2/h4,20-23H2,1-2H3,(H,27,29)
InChIKeyTUEKAKANFPHBSL-UHFFFAOYSA-N
XLogP0.27
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-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-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (CID 20627058) is N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is CC#CC#CC#CC#CC#CC#CC#CC#CC1=NCCN1CCNC(=O)CC.
What is the InChIKey of N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The InChIKey is TUEKAKANFPHBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26-20-22-28(24)23-21-27-25(29)4-2/h4,20-23H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-heptadeca-1,3,5,7,9,11,13,15-octaynyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 20627058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).