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

C11H23N3O3 — CID 58612578

IUPACtert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate
SMILESCCNC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-5-13-9(15)8-12-6-7-14-10(16)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUYTPMFOCDQNDAW-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.24
Rot. Bonds6

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

tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate (PubChem CID 58612578) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate
PubChem CID58612578
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Nametert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate
SMILESCCNC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-5-13-9(15)8-12-6-7-14-10(16)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUYTPMFOCDQNDAW-UHFFFAOYSA-N
XLogP0.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.24
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate (CID 58612578) is tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate is CCNC(=O)CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate?
The InChIKey is UYTPMFOCDQNDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-5-13-9(15)8-12-6-7-14-10(16)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 0.24, 6 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-(ethylamino)-2-oxoethyl]amino]ethyl]carbamate is sourced from PubChem (CID 58612578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).