[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate

C13H26N2O5 — CID 10684919

IUPAC[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(O)COC(=O)N(CC)CC
InChIInChI=1S/C13H26N2O5/c1-5-14(6-2)12(17)19-9-11(16)10-20-13(18)15(7-3)8-4/h11,16H,5-10H2,1-4H3
InChIKeyYKWDYLKRHRTOLC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.30
Rot. Bonds8

About [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate

[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate (PubChem CID 10684919) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
PubChem CID10684919
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(O)COC(=O)N(CC)CC
InChIInChI=1S/C13H26N2O5/c1-5-14(6-2)12(17)19-9-11(16)10-20-13(18)15(7-3)8-4/h11,16H,5-10H2,1-4H3
InChIKeyYKWDYLKRHRTOLC-UHFFFAOYSA-N
XLogP1.30
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
CID 122517581
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
CID 101353524
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
2-methylpropyl N-ethyl-N-tetradecylcarbamate
CID 58096503
[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
CID 122517637
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
2-methylpropyl N,N-dibutylcarbamate;bis(2-methylpropyl N,N-diethylcarbamate);2-methylpropyl N,N-dihexylcarbamate;decakis(2-methylpropyl N-ethyl-N-methylcarbamate)
CID 158324983
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate
CID 90859633
ethyl 2-(diethylcarbamoyloxy)-3,3-dimethylbutanoate
CID 122517635

Frequently Asked Questions

What is the IUPAC name of [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate?
The IUPAC name of [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate (CID 10684919) is [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate.
What is the SMILES notation for [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate?
The canonical SMILES for [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate is CCN(CC)C(=O)OCC(O)COC(=O)N(CC)CC.
What is the InChIKey of [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate?
The InChIKey is YKWDYLKRHRTOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-5-14(6-2)12(17)19-9-11(16)10-20-13(18)15(7-3)8-4/h11,16H,5-10H2,1-4H3.
What are the key properties of [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate?
[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate has a molecular weight of 290.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate is sourced from PubChem (CID 10684919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).