hexyl N-(2-hydroxy-2-phenylethyl)carbamate

C15H23NO3 — CID 2840978

IUPAChexyl N-(2-hydroxy-2-phenylethyl)carbamate
SMILESCCCCCCOC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-4-8-11-19-15(18)16-12-14(17)13-9-6-5-7-10-13/h5-7,9-10,14,17H,2-4,8,11-12H2,1H3,(H,16,18)
InChIKeyHPWDTVIFHQPZAF-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.03
Rot. Bonds8

About hexyl N-(2-hydroxy-2-phenylethyl)carbamate

hexyl N-(2-hydroxy-2-phenylethyl)carbamate (PubChem CID 2840978) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is hexyl N-(2-hydroxy-2-phenylethyl)carbamate.

Molecular Properties

Compound Namehexyl N-(2-hydroxy-2-phenylethyl)carbamate
PubChem CID2840978
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namehexyl N-(2-hydroxy-2-phenylethyl)carbamate
SMILESCCCCCCOC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-4-8-11-19-15(18)16-12-14(17)13-9-6-5-7-10-13/h5-7,9-10,14,17H,2-4,8,11-12H2,1H3,(H,16,18)
InChIKeyHPWDTVIFHQPZAF-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.03
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexyl N-(2-hydroxy-2-phenylethyl)carbamate?
The IUPAC name of hexyl N-(2-hydroxy-2-phenylethyl)carbamate (CID 2840978) is hexyl N-(2-hydroxy-2-phenylethyl)carbamate.
What is the SMILES notation for hexyl N-(2-hydroxy-2-phenylethyl)carbamate?
The canonical SMILES for hexyl N-(2-hydroxy-2-phenylethyl)carbamate is CCCCCCOC(=O)NCC(O)c1ccccc1.
What is the InChIKey of hexyl N-(2-hydroxy-2-phenylethyl)carbamate?
The InChIKey is HPWDTVIFHQPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-8-11-19-15(18)16-12-14(17)13-9-6-5-7-10-13/h5-7,9-10,14,17H,2-4,8,11-12H2,1H3,(H,16,18).
What are the key properties of hexyl N-(2-hydroxy-2-phenylethyl)carbamate?
hexyl N-(2-hydroxy-2-phenylethyl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(2-hydroxy-2-phenylethyl)carbamate is sourced from PubChem (CID 2840978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).