6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide

C13H22N4O2 — CID 115649646

IUPAC6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c1-11(18)14-7-4-2-3-5-13(19)17-8-6-12-15-9-10-16-12/h9-10H,2-8H2,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyLOGBCLDUBNUZAQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.76
Rot. Bonds9

About 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide

6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide (PubChem CID 115649646) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
PubChem CID115649646
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c1-11(18)14-7-4-2-3-5-13(19)17-8-6-12-15-9-10-16-12/h9-10H,2-8H2,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyLOGBCLDUBNUZAQ-UHFFFAOYSA-N
XLogP0.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 166619412
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide?
The IUPAC name of 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide (CID 115649646) is 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide is CC(=O)NCCCCCC(=O)NCCc1ncc[nH]1.
What is the InChIKey of 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide?
The InChIKey is LOGBCLDUBNUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(18)14-7-4-2-3-5-13(19)17-8-6-12-15-9-10-16-12/h9-10H,2-8H2,1H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide?
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide has a molecular weight of 266.34 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide is sourced from PubChem (CID 115649646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).