N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide

C37H73N3O — CID 67866753

IUPACN-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(CC)(CCCCCCCCCCCC)C1=NCCN1
InChIInChI=1S/C37H73N3O/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-35(41)40-34-37(6-3,36-38-32-33-39-36)31-29-27-25-23-16-14-12-10-8-5-2/h4-34H2,1-3H3,(H,38,39)(H,40,41)
InChIKeyDKFURMQLBAFRBE-UHFFFAOYSA-N
MW576.01 g/mol
LogP11.07
Rot. Bonds31

About N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide

N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide (PubChem CID 67866753) has the molecular formula C37H73N3O and a molecular weight of 576.01 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide
PubChem CID67866753
Molecular FormulaC37H73N3O
Molecular Weight576.01 g/mol
Exact Mass575.58
IUPAC NameN-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(CC)(CCCCCCCCCCCC)C1=NCCN1
InChIInChI=1S/C37H73N3O/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-35(41)40-34-37(6-3,36-38-32-33-39-36)31-29-27-25-23-16-14-12-10-8-5-2/h4-34H2,1-3H3,(H,38,39)(H,40,41)
InChIKeyDKFURMQLBAFRBE-UHFFFAOYSA-N
XLogP11.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.01
LogP ≤ 511.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
CID 18996483
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide?
The IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide (CID 67866753) is N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide?
The canonical SMILES for N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(CC)(CCCCCCCCCCCC)C1=NCCN1.
What is the InChIKey of N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide?
The InChIKey is DKFURMQLBAFRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N3O/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-35(41)40-34-37(6-3,36-38-32-33-39-36)31-29-27-25-23-16-14-12-10-8-5-2/h4-34H2,1-3H3,(H,38,39)(H,40,41).
What are the key properties of N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide?
N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide has a molecular weight of 576.01 g/mol, XLogP of 11.07, 31 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyltetradecyl]octadecanamide is sourced from PubChem (CID 67866753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).