3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate

C15H19N3O2 — CID 10612308

IUPAC3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H19N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)
InChIKeyJPPOAAHOXATZTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds7

About 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate (PubChem CID 10612308) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate
PubChem CID10612308
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H19N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)
InChIKeyJPPOAAHOXATZTM-UHFFFAOYSA-N
XLogP2.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate (CID 10612308) is 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate?
The InChIKey is JPPOAAHOXATZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(2-phenylethyl)carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.31, 7 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-(2-phenylethyl)carbamate is sourced from PubChem (CID 10612308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).