tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate

C11H22N2O3 — CID 173318697

IUPACtert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
SMILESCCN(C(=O)CN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(9(14)8-12(5)6)10(15)16-11(2,3)4/h7-8H2,1-6H3
InChIKeyPSIAFFVGAFLUJM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate

tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate (PubChem CID 173318697) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
PubChem CID173318697
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
SMILESCCN(C(=O)CN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(9(14)8-12(5)6)10(15)16-11(2,3)4/h7-8H2,1-6H3
InChIKeyPSIAFFVGAFLUJM-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
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acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-[(E)-N,N-diethyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-methylcarbamate
CID 11034862
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
CID 162367936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate (CID 173318697) is tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate is CCN(C(=O)CN(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate?
The InChIKey is PSIAFFVGAFLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-13(9(14)8-12(5)6)10(15)16-11(2,3)4/h7-8H2,1-6H3.
What are the key properties of tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate?
tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate is sourced from PubChem (CID 173318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).