benzyl N-(5-hydroxypentyl)carbamate

C13H19NO3 — CID 4072414

IUPACbenzyl N-(5-hydroxypentyl)carbamate
SMILESO=C(NCCCCCO)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16)
InChIKeyTYIYHFWLYLHCHY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds7

About benzyl N-(5-hydroxypentyl)carbamate

benzyl N-(5-hydroxypentyl)carbamate (PubChem CID 4072414) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzyl N-(5-hydroxypentyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-hydroxypentyl)carbamate
PubChem CID4072414
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzyl N-(5-hydroxypentyl)carbamate
SMILESO=C(NCCCCCO)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16)
InChIKeyTYIYHFWLYLHCHY-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
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 benzyl N-(5-hydroxypentyl)carbamate?
The IUPAC name of benzyl N-(5-hydroxypentyl)carbamate (CID 4072414) is benzyl N-(5-hydroxypentyl)carbamate.
What is the SMILES notation for benzyl N-(5-hydroxypentyl)carbamate?
The canonical SMILES for benzyl N-(5-hydroxypentyl)carbamate is O=C(NCCCCCO)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-hydroxypentyl)carbamate?
The InChIKey is TYIYHFWLYLHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16).
What are the key properties of benzyl N-(5-hydroxypentyl)carbamate?
benzyl N-(5-hydroxypentyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-hydroxypentyl)carbamate is sourced from PubChem (CID 4072414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).