tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate

C10H21N3O3 — CID 78978111

IUPACtert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
SMILESCN(C)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)12-7-6-11-8(14)13(4)5/h6-7H2,1-5H3,(H,11,14)(H,12,15)
InChIKeyJTHLDFXXYMYOFU-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.78
Rot. Bonds3

About tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate

tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate (PubChem CID 78978111) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
PubChem CID78978111
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
SMILESCN(C)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)12-7-6-11-8(14)13(4)5/h6-7H2,1-5H3,(H,11,14)(H,12,15)
InChIKeyJTHLDFXXYMYOFU-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]carbamate
CID 108864621
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
CID 166846114
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate (CID 78978111) is tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate is CN(C)C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate?
The InChIKey is JTHLDFXXYMYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)12-7-6-11-8(14)13(4)5/h6-7H2,1-5H3,(H,11,14)(H,12,15).
What are the key properties of tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate?
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 78978111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).