3-(1H-imidazol-5-yl)propyl N-octylcarbamate

C15H27N3O2 — CID 10564790

IUPAC3-(1H-imidazol-5-yl)propyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-10-17-15(19)20-11-8-9-14-12-16-13-18-14/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQPDNLSQYYWFXMU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.43
Rot. Bonds11

About 3-(1H-imidazol-5-yl)propyl N-octylcarbamate

3-(1H-imidazol-5-yl)propyl N-octylcarbamate (PubChem CID 10564790) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-octylcarbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-octylcarbamate
PubChem CID10564790
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1H-imidazol-5-yl)propyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-10-17-15(19)20-11-8-9-14-12-16-13-18-14/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQPDNLSQYYWFXMU-UHFFFAOYSA-N
XLogP3.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.43
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

3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-[(E)-hex-2-enyl]carbamate
CID 54583422
3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate
CID 67730620
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
5-hexyl-1H-imidazole
CID 14225142
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-octylcarbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-octylcarbamate (CID 10564790) is 3-(1H-imidazol-5-yl)propyl N-octylcarbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-octylcarbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-octylcarbamate is CCCCCCCCNC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-octylcarbamate?
The InChIKey is QPDNLSQYYWFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-10-17-15(19)20-11-8-9-14-12-16-13-18-14/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-octylcarbamate?
3-(1H-imidazol-5-yl)propyl N-octylcarbamate has a molecular weight of 281.40 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-octylcarbamate is sourced from PubChem (CID 10564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).