N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide

C32H63N3O — CID 3018079

IUPACN-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCC
InChIInChI=1S/C32H63N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-33-27-29-35(31)30-28-34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,34,36)
InChIKeyPAINYZUXWIBACX-UHFFFAOYSA-N
MW505.88 g/mol
LogP9.22
Rot. Bonds27

About N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide

N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide (PubChem CID 3018079) has the molecular formula C32H63N3O and a molecular weight of 505.88 g/mol. Its IUPAC name is N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide
PubChem CID3018079
Molecular FormulaC32H63N3O
Molecular Weight505.88 g/mol
Exact Mass505.50
IUPAC NameN-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCC
InChIInChI=1S/C32H63N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-33-27-29-35(31)30-28-34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,34,36)
InChIKeyPAINYZUXWIBACX-UHFFFAOYSA-N
XLogP9.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.88
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide?
The IUPAC name of N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide (CID 3018079) is N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide?
The canonical SMILES for N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCC.
What is the InChIKey of N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide?
The InChIKey is PAINYZUXWIBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-33-27-29-35(31)30-28-34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,34,36).
What are the key properties of N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide?
N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide has a molecular weight of 505.88 g/mol, XLogP of 9.22, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl]tetradecanamide is sourced from PubChem (CID 3018079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).