ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate

C13H16N2O2 — CID 61355544

IUPACethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C13H16N2O2/c1-3-15(13(16)17-4-2)10-12-8-6-5-7-11(12)9-14/h5-8H,3-4,10H2,1-2H3
InChIKeyGLXBTTJBRRZPGI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.54
Rot. Bonds4

About ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate

ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate (PubChem CID 61355544) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
PubChem CID61355544
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C13H16N2O2/c1-3-15(13(16)17-4-2)10-12-8-6-5-7-11(12)9-14/h5-8H,3-4,10H2,1-2H3
InChIKeyGLXBTTJBRRZPGI-UHFFFAOYSA-N
XLogP2.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
ethyl 2-[(2-cyanophenyl)methyl-methylamino]-2-methylpropanoate
CID 56805345
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071356
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79264374
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 115286741
ethyl 2-[4-[(2-cyanophenyl)methyl-methylamino]phenyl]acetate
CID 23333579

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate (CID 61355544) is ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate is CCOC(=O)N(CC)Cc1ccccc1C#N.
What is the InChIKey of ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate?
The InChIKey is GLXBTTJBRRZPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15(13(16)17-4-2)10-12-8-6-5-7-11(12)9-14/h5-8H,3-4,10H2,1-2H3.
What are the key properties of ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate?
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate has a molecular weight of 232.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate is sourced from PubChem (CID 61355544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).