(4-methoxyphenyl) N-(2-phenylethyl)carbamate

C16H17NO3 — CID 2802350

IUPAC(4-methoxyphenyl) N-(2-phenylethyl)carbamate
SMILESCOc1ccc(OC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-9-15(10-8-14)20-16(18)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUVMZWARHNSFSHK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds5

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

(4-methoxyphenyl) N-(2-phenylethyl)carbamate (PubChem CID 2802350) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(2-phenylethyl)carbamate
PubChem CID2802350
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4-methoxyphenyl) N-(2-phenylethyl)carbamate
SMILESCOc1ccc(OC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-9-15(10-8-14)20-16(18)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUVMZWARHNSFSHK-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-(2-phenylethyl)carbamate?
The IUPAC name of (4-methoxyphenyl) N-(2-phenylethyl)carbamate (CID 2802350) is (4-methoxyphenyl) N-(2-phenylethyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-(2-phenylethyl)carbamate?
The canonical SMILES for (4-methoxyphenyl) N-(2-phenylethyl)carbamate is COc1ccc(OC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-(2-phenylethyl)carbamate?
The InChIKey is UVMZWARHNSFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-7-9-15(10-8-14)20-16(18)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of (4-methoxyphenyl) N-(2-phenylethyl)carbamate?
(4-methoxyphenyl) N-(2-phenylethyl)carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(2-phenylethyl)carbamate is sourced from PubChem (CID 2802350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).