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

C18H20N2O3 — CID 3101230

IUPACbenzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(19-12-11-15-7-3-1-4-8-15)13-20-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyPHBGASNKZBMUTL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds7

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

benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (PubChem CID 3101230) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
PubChem CID3101230
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namebenzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(19-12-11-15-7-3-1-4-8-15)13-20-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyPHBGASNKZBMUTL-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (CID 3101230) is benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The InChIKey is PHBGASNKZBMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(19-12-11-15-7-3-1-4-8-15)13-20-18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 3101230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).