benzyl N-(3-hydroxypropyl)carbamate

C11H15NO3 — CID 562256

IUPACbenzyl N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)
InChIKeyWXQCFKYWSKKNKY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.30
Rot. Bonds5

About benzyl N-(3-hydroxypropyl)carbamate

benzyl N-(3-hydroxypropyl)carbamate (PubChem CID 562256) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is benzyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-hydroxypropyl)carbamate
PubChem CID562256
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namebenzyl N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)
InChIKeyWXQCFKYWSKKNKY-UHFFFAOYSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.30
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-(3-hydroxypropyl)carbamate?
The IUPAC name of benzyl N-(3-hydroxypropyl)carbamate (CID 562256) is benzyl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for benzyl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for benzyl N-(3-hydroxypropyl)carbamate is O=C(NCCCO)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-hydroxypropyl)carbamate?
The InChIKey is WXQCFKYWSKKNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14).
What are the key properties of benzyl N-(3-hydroxypropyl)carbamate?
benzyl N-(3-hydroxypropyl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 562256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).