4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane

C11H24N2O4 — CID 158264947

IUPAC4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
SMILESC.CCNC(=O)OCCCCOC(=O)NCC
InChIInChI=1S/C10H20N2O4.CH4/c1-3-11-9(13)15-7-5-6-8-16-10(14)12-4-2;/h3-8H2,1-2H3,(H,11,13)(H,12,14);1H4
InChIKeyGIIAQKOQFJUNQZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.89
Rot. Bonds7

About 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane

4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane (PubChem CID 158264947) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane.

Molecular Properties

Compound Name4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
PubChem CID158264947
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
SMILESC.CCNC(=O)OCCCCOC(=O)NCC
InChIInChI=1S/C10H20N2O4.CH4/c1-3-11-9(13)15-7-5-6-8-16-10(14)12-4-2;/h3-8H2,1-2H3,(H,11,13)(H,12,14);1H4
InChIKeyGIIAQKOQFJUNQZ-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylcarbamoyloxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl butanoate
CID 157351011
5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964264
hexyl N-ethylcarbamate;pyridine
CID 137370460
azane;ethyl N-ethylcarbamate
CID 88547448
octadecyl N-propylcarbamate
CID 175015942
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
undecyl N-octylcarbamate
CID 168918698
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
[(Z)-pent-3-enyl] N-ethylcarbamate
CID 170200580

Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane?
The IUPAC name of 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane (CID 158264947) is 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane.
What is the SMILES notation for 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane?
The canonical SMILES for 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane is C.CCNC(=O)OCCCCOC(=O)NCC.
What is the InChIKey of 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane?
The InChIKey is GIIAQKOQFJUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.CH4/c1-3-11-9(13)15-7-5-6-8-16-10(14)12-4-2;/h3-8H2,1-2H3,(H,11,13)(H,12,14);1H4.
What are the key properties of 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane?
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane has a molecular weight of 248.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane is sourced from PubChem (CID 158264947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).