ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate

C17H18N2O4 — CID 70442873

IUPACethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1OC(N)=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-22-17(21)19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)23-16(18)20/h3-11H,2,12H2,1H3,(H2,18,20)
InChIKeyXEJBHLMTEHOFJP-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.31
Rot. Bonds5

About ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate

ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate (PubChem CID 70442873) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate
PubChem CID70442873
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1OC(N)=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-22-17(21)19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)23-16(18)20/h3-11H,2,12H2,1H3,(H2,18,20)
InChIKeyXEJBHLMTEHOFJP-UHFFFAOYSA-N
XLogP3.31
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[[2-amino-4-bromo-3,6-bis(trifluoromethyl)phenyl]methyl]-N-phenylcarbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate?
The IUPAC name of ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate (CID 70442873) is ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate.
What is the SMILES notation for ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate?
The canonical SMILES for ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate is CCOC(=O)N(Cc1ccccc1OC(N)=O)c1ccccc1.
What is the InChIKey of ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate?
The InChIKey is XEJBHLMTEHOFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-22-17(21)19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)23-16(18)20/h3-11H,2,12H2,1H3,(H2,18,20).
What are the key properties of ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate?
ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate has a molecular weight of 314.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate is sourced from PubChem (CID 70442873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).