methyl N-(4-phenylmethoxyphenyl)carbamate

C15H15NO3 — CID 894605

IUPACmethyl N-(4-phenylmethoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)16-13-7-9-14(10-8-13)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeyFHTMZNVXGSGVOA-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.44
Rot. Bonds4

About methyl N-(4-phenylmethoxyphenyl)carbamate

methyl N-(4-phenylmethoxyphenyl)carbamate (PubChem CID 894605) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-(4-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-phenylmethoxyphenyl)carbamate
PubChem CID894605
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl N-(4-phenylmethoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)16-13-7-9-14(10-8-13)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeyFHTMZNVXGSGVOA-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-phenylmethoxyphenyl)carbamate?
The IUPAC name of methyl N-(4-phenylmethoxyphenyl)carbamate (CID 894605) is methyl N-(4-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(4-phenylmethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(4-phenylmethoxyphenyl)carbamate is COC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl N-(4-phenylmethoxyphenyl)carbamate?
The InChIKey is FHTMZNVXGSGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-15(17)16-13-7-9-14(10-8-13)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of methyl N-(4-phenylmethoxyphenyl)carbamate?
methyl N-(4-phenylmethoxyphenyl)carbamate has a molecular weight of 257.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 894605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).