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

C16H21N3O2 — CID 10541297

IUPAC3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C16H21N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20)
InChIKeyKDKYNTUMWXHVMX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.70
Rot. Bonds8

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

3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate (PubChem CID 10541297) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate
PubChem CID10541297
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C16H21N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20)
InChIKeyKDKYNTUMWXHVMX-UHFFFAOYSA-N
XLogP2.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.70
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-(3-phenylpropyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate (CID 10541297) is 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate?
The InChIKey is KDKYNTUMWXHVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(3-phenylpropyl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 2.70, 8 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-(3-phenylpropyl)carbamate is sourced from PubChem (CID 10541297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).