ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate

C10H17N3O3 — CID 8791990

IUPACethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCC#N
InChIInChI=1S/C10H17N3O3/c1-3-13(7-5-6-11)8-9(14)12-10(15)16-4-2/h3-5,7-8H2,1-2H3,(H,12,14,15)
InChIKeyOSUBBBIZLFKTCH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds6

About ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate

ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate (PubChem CID 8791990) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
PubChem CID8791990
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCC#N
InChIInChI=1S/C10H17N3O3/c1-3-13(7-5-6-11)8-9(14)12-10(15)16-4-2/h3-5,7-8H2,1-2H3,(H,12,14,15)
InChIKeyOSUBBBIZLFKTCH-UHFFFAOYSA-N
XLogP0.49
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 22084539
pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate
CID 166684302
ethyl N-[2-cyano-2-(methylamino)acetyl]carbamate
CID 167274581
ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 8767199
2-Cyanoethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8791989
[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792194
ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792195
[(2S)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792222
ethyl N-[2-[[(2S)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792223
[2-[2-Cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792379
ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792380
ethyl N-[2-(1,4-diazepan-1-yl)acetyl]carbamate
CID 43162532

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate (CID 8791990) is ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CCC#N.
What is the InChIKey of ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate?
The InChIKey is OSUBBBIZLFKTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-13(7-5-6-11)8-9(14)12-10(15)16-4-2/h3-5,7-8H2,1-2H3,(H,12,14,15).
What are the key properties of ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate?
ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate is sourced from PubChem (CID 8791990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).