[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate

C11H20N4O6 — CID 121223659

IUPAC[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
SMILESCCC(CC)(COC(=O)NC(N)=O)COC(=O)NC(N)=O
InChIInChI=1S/C11H20N4O6/c1-3-11(4-2,5-20-9(18)14-7(12)16)6-21-10(19)15-8(13)17/h3-6H2,1-2H3,(H3,12,14,16,18)(H3,13,15,17,19)
InChIKeyWERHPPJDJYDSIE-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.40
Rot. Bonds6

About [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate

[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate (PubChem CID 121223659) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate.

Molecular Properties

Compound Name[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
PubChem CID121223659
Molecular FormulaC11H20N4O6
Molecular Weight304.30 g/mol
Exact Mass304.14
IUPAC Name[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
SMILESCCC(CC)(COC(=O)NC(N)=O)COC(=O)NC(N)=O
InChIInChI=1S/C11H20N4O6/c1-3-11(4-2,5-20-9(18)14-7(12)16)6-21-10(19)15-8(13)17/h3-6H2,1-2H3,(H3,12,14,16,18)(H3,13,15,17,19)
InChIKeyWERHPPJDJYDSIE-UHFFFAOYSA-N
XLogP0.40
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-bis(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 59137176
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)butyl] N-methylcarbamate;ethane
CID 171636121
ethylsulfanyl N-carbamoylcarbamate
CID 87478497
2,2-bis(hydroxymethyl)butyl N-methylcarbamate
CID 87800548
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727
[2-(methylcarbamoyloxymethyl)-2-(methylidenecarbamoyloxymethyl)butyl] N-methylcarbamate
CID 130427850
3-methylbutyl N-carbamoylcarbamate
CID 3027873
2,2-bis[(2,2,2-trifluoroacetyl)oxymethyl]butyl 2,2,2-trifluoroacetate
CID 91694798
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
2-amino-N-carbamoyl-2-methylbutanamide
CID 79812267
[2-[2,2-bis(3-oxobutanoyloxymethyl)butoxymethyl]-2-(3-oxobutanoyloxymethyl)butyl] 3-oxobutanoate
CID 154943777
3-O-[3-[3-(2-ethylbutoxy)-3-oxopropanoyl]oxy-2,2-dimethylpropyl] 1-O-(2-ethylbutyl) propanedioate;1-O-(2-ethylbutyl) 3-O-[2-ethyl-2-[[3-(2-ethylbutoxy)-3-oxopropanoyl]oxymethyl]butyl] propanedioate
CID 160798732

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate?
The IUPAC name of [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate (CID 121223659) is [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate.
What is the SMILES notation for [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate?
The canonical SMILES for [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate is CCC(CC)(COC(=O)NC(N)=O)COC(=O)NC(N)=O.
What is the InChIKey of [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate?
The InChIKey is WERHPPJDJYDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-3-11(4-2,5-20-9(18)14-7(12)16)6-21-10(19)15-8(13)17/h3-6H2,1-2H3,(H3,12,14,16,18)(H3,13,15,17,19).
What are the key properties of [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate?
[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate has a molecular weight of 304.30 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate is sourced from PubChem (CID 121223659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).