ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

C13H18N2O3 — CID 47187185

IUPACethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)15-10-12(16)14-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyAFTVPJFFZHXLED-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.09
Rot. Bonds6

About ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (PubChem CID 47187185) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
PubChem CID47187185
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)15-10-12(16)14-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyAFTVPJFFZHXLED-UHFFFAOYSA-N
XLogP1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (CID 47187185) is ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NCCc1ccccc1.
What is the InChIKey of ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The InChIKey is AFTVPJFFZHXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(17)15-10-12(16)14-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 47187185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).