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

C13H24N4O5 — CID 126589495

IUPACtert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N4O5/c1-5-14-9(18)6-15-10(19)7-16-11(20)8-17-12(21)22-13(2,3)4/h5-8H2,1-4H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyNGETZEQTRNEFKE-UHFFFAOYSA-N
MW316.36 g/mol
LogP-1.12
Rot. Bonds7

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

tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 126589495) has the molecular formula C13H24N4O5 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID126589495
Molecular FormulaC13H24N4O5
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Nametert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N4O5/c1-5-14-9(18)6-15-10(19)7-16-11(20)8-17-12(21)22-13(2,3)4/h5-8H2,1-4H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyNGETZEQTRNEFKE-UHFFFAOYSA-N
XLogP-1.12
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]ethyl N-aminocarbamate
CID 135302900
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 126589495) is tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is NGETZEQTRNEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O5/c1-5-14-9(18)6-15-10(19)7-16-11(20)8-17-12(21)22-13(2,3)4/h5-8H2,1-4H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21).
What are the key properties of tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of -1.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 126589495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).