tert-butyl N-(5-phenylpentoxy)carbamate

C16H25NO3 — CID 11536449

IUPACtert-butyl N-(5-phenylpentoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCCCCCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(18)17-19-13-9-5-8-12-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18)
InChIKeyYAWHLNVGZICGTQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.86
Rot. Bonds7

About tert-butyl N-(5-phenylpentoxy)carbamate

tert-butyl N-(5-phenylpentoxy)carbamate (PubChem CID 11536449) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-(5-phenylpentoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-phenylpentoxy)carbamate
PubChem CID11536449
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-(5-phenylpentoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCCCCCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(18)17-19-13-9-5-8-12-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18)
InChIKeyYAWHLNVGZICGTQ-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-phenylpentoxy)carbamate?
The IUPAC name of tert-butyl N-(5-phenylpentoxy)carbamate (CID 11536449) is tert-butyl N-(5-phenylpentoxy)carbamate.
What is the SMILES notation for tert-butyl N-(5-phenylpentoxy)carbamate?
The canonical SMILES for tert-butyl N-(5-phenylpentoxy)carbamate is CC(C)(C)OC(=O)NOCCCCCc1ccccc1.
What is the InChIKey of tert-butyl N-(5-phenylpentoxy)carbamate?
The InChIKey is YAWHLNVGZICGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)20-15(18)17-19-13-9-5-8-12-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(5-phenylpentoxy)carbamate?
tert-butyl N-(5-phenylpentoxy)carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-phenylpentoxy)carbamate is sourced from PubChem (CID 11536449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).