benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate

C12H16N2O3 — CID 4582936

IUPACbenzyl N-[2-(ethylamino)-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-13-11(15)8-14-12(16)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyUGAMNTGMICNTPS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.05
Rot. Bonds5

About benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate

benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (PubChem CID 4582936) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(ethylamino)-2-oxoethyl]carbamate
PubChem CID4582936
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namebenzyl N-[2-(ethylamino)-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-13-11(15)8-14-12(16)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyUGAMNTGMICNTPS-UHFFFAOYSA-N
XLogP1.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (CID 4582936) is benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate is CCNC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The InChIKey is UGAMNTGMICNTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-13-11(15)8-14-12(16)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 4582936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).