N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide

C14H26N4O — CID 79984949

IUPACN-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCCNCCc1cn(CC(=O)NCC(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-6-15-7-5-13-9-18(11-17-13)10-14(19)16-8-12(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyJADPSEZHCHQSDB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.20
Rot. Bonds9

About N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide

N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide (PubChem CID 79984949) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
PubChem CID79984949
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCCNCCc1cn(CC(=O)NCC(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-6-15-7-5-13-9-18(11-17-13)10-14(19)16-8-12(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyJADPSEZHCHQSDB-UHFFFAOYSA-N
XLogP1.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.20
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-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide (CID 79984949) is N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide is CCCNCCc1cn(CC(=O)NCC(C)C)cn1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide?
The InChIKey is JADPSEZHCHQSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-15-7-5-13-9-18(11-17-13)10-14(19)16-8-12(2)3/h9,11-12,15H,4-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 79984949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).