ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate

C11H13NO4 — CID 70437866

IUPACethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-2-16-11(15)12-7-10(14)8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H,12,15)
InChIKeyFDFKOHZURGQBNP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.32
Rot. Bonds4

About ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate

ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate (PubChem CID 70437866) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
PubChem CID70437866
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-2-16-11(15)12-7-10(14)8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H,12,15)
InChIKeyFDFKOHZURGQBNP-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
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CID 145279324

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate (CID 70437866) is ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)c1ccccc1O.
What is the InChIKey of ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate?
The InChIKey is FDFKOHZURGQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-16-11(15)12-7-10(14)8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3,(H,12,15).
What are the key properties of ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate?
ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate has a molecular weight of 223.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 70437866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).