tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate

C10H21N3O3 — CID 23532556

IUPACtert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate
SMILESCNC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-5-12-7-8(14)11-4/h12H,5-7H2,1-4H3,(H,11,14)(H,13,15)
InChIKeyUHVXNPOJIWKKID-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.15
Rot. Bonds5

About tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate (PubChem CID 23532556) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate
PubChem CID23532556
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate
SMILESCNC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-5-12-7-8(14)11-4/h12H,5-7H2,1-4H3,(H,11,14)(H,13,15)
InChIKeyUHVXNPOJIWKKID-UHFFFAOYSA-N
XLogP-0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate (CID 23532556) is tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate is CNC(=O)CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate?
The InChIKey is UHVXNPOJIWKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-5-12-7-8(14)11-4/h12H,5-7H2,1-4H3,(H,11,14)(H,13,15).
What are the key properties of tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]carbamate is sourced from PubChem (CID 23532556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).