2-phenylethyl N-(4-phenylbutyl)carbamate

C19H23NO2 — CID 23058488

IUPAC2-phenylethyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-19(22-16-14-18-11-5-2-6-12-18)20-15-8-7-13-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,20,21)
InChIKeyLXPXULBCSVLCSH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.98
Rot. Bonds8

About 2-phenylethyl N-(4-phenylbutyl)carbamate

2-phenylethyl N-(4-phenylbutyl)carbamate (PubChem CID 23058488) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-phenylethyl N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(4-phenylbutyl)carbamate
PubChem CID23058488
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-phenylethyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-19(22-16-14-18-11-5-2-6-12-18)20-15-8-7-13-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,20,21)
InChIKeyLXPXULBCSVLCSH-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-phenylethyl N-(4-phenylbutyl)carbamate?
The IUPAC name of 2-phenylethyl N-(4-phenylbutyl)carbamate (CID 23058488) is 2-phenylethyl N-(4-phenylbutyl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(4-phenylbutyl)carbamate?
The canonical SMILES for 2-phenylethyl N-(4-phenylbutyl)carbamate is O=C(NCCCCc1ccccc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-(4-phenylbutyl)carbamate?
The InChIKey is LXPXULBCSVLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-19(22-16-14-18-11-5-2-6-12-18)20-15-8-7-13-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,20,21).
What are the key properties of 2-phenylethyl N-(4-phenylbutyl)carbamate?
2-phenylethyl N-(4-phenylbutyl)carbamate has a molecular weight of 297.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 23058488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).