benzyl N-(2-phenylethyl)carbamate

C16H17NO2 — CID 4779135

IUPACbenzyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyHWKGXMNDNPGHAX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.16
Rot. Bonds5

About benzyl N-(2-phenylethyl)carbamate

benzyl N-(2-phenylethyl)carbamate (PubChem CID 4779135) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylethyl)carbamate
PubChem CID4779135
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyHWKGXMNDNPGHAX-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylethyl)carbamate?
The IUPAC name of benzyl N-(2-phenylethyl)carbamate (CID 4779135) is benzyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-(2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-phenylethyl)carbamate?
The InChIKey is HWKGXMNDNPGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18).
What are the key properties of benzyl N-(2-phenylethyl)carbamate?
benzyl N-(2-phenylethyl)carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 4779135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).