2-(methylcarbamoylamino)ethyl N-butylcarbamate

C9H19N3O3 — CID 650127

IUPAC2-(methylcarbamoylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-3-4-5-12-9(14)15-7-6-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyRUILNTBSGCCSEH-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.44
Rot. Bonds6

About 2-(methylcarbamoylamino)ethyl N-butylcarbamate

2-(methylcarbamoylamino)ethyl N-butylcarbamate (PubChem CID 650127) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-(methylcarbamoylamino)ethyl N-butylcarbamate
PubChem CID650127
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-(methylcarbamoylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNC(=O)NC
InChIInChI=1S/C9H19N3O3/c1-3-4-5-12-9(14)15-7-6-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyRUILNTBSGCCSEH-UHFFFAOYSA-N
XLogP0.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Methoxycarbonyl)amino]propan-2-YL N-butylcarbamate
CID 4183002
Choline, iodide, butylcarbamate
CID 115904
Choline, iodide, propylcarbamate
CID 115910
2-(diethylamino)ethyl N-butylcarbamate
CID 24836165
2-[2-(butylcarbamoyloxy)ethyl-methylamino]ethyl N-butylcarbamate
CID 33912
2-(Butylcarbamoyloxy)ethyl-trimethylazanium
CID 115905
Trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium
CID 115911
(2-Hydroxyethyl)triethylammonium bromide butylcarbamate
CID 24833375
Diethyl(2-hydroxyethyl)ammonium chloride butylcarbamate
CID 24836164
Choline, chloride, propylcarbamate
CID 24836764
ethyl N-[1-(ethoxycarbonylamino)propyl]carbamate
CID 219578
ethyl N-[1-(ethoxycarbonylamino)butyl]carbamate
CID 266700

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)ethyl N-butylcarbamate?
The IUPAC name of 2-(methylcarbamoylamino)ethyl N-butylcarbamate (CID 650127) is 2-(methylcarbamoylamino)ethyl N-butylcarbamate.
What is the SMILES notation for 2-(methylcarbamoylamino)ethyl N-butylcarbamate?
The canonical SMILES for 2-(methylcarbamoylamino)ethyl N-butylcarbamate is CCCCNC(=O)OCCNC(=O)NC.
What is the InChIKey of 2-(methylcarbamoylamino)ethyl N-butylcarbamate?
The InChIKey is RUILNTBSGCCSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-4-5-12-9(14)15-7-6-11-8(13)10-2/h3-7H2,1-2H3,(H,12,14)(H2,10,11,13).
What are the key properties of 2-(methylcarbamoylamino)ethyl N-butylcarbamate?
2-(methylcarbamoylamino)ethyl N-butylcarbamate has a molecular weight of 217.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)ethyl N-butylcarbamate is sourced from PubChem (CID 650127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).