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

C13H27N3O3 — CID 141407749

IUPACtert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
SMILESCCN(CCN(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-7-16(9-8-15(5)6)11(17)10-14-12(18)19-13(2,3)4/h7-10H2,1-6H3,(H,14,18)
InChIKeyJHQFVZQCESOKAU-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.92
Rot. Bonds6

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

tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate (PubChem CID 141407749) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
PubChem CID141407749
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Nametert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
SMILESCCN(CCN(C)C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-7-16(9-8-15(5)6)11(17)10-14-12(18)19-13(2,3)4/h7-10H2,1-6H3,(H,14,18)
InChIKeyJHQFVZQCESOKAU-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid
CID 87358722
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
(2R)-2-[(4-chlorophenyl)methyl-ethylamino]-4-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoic acid
CID 143563465
tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
CID 148691344
tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
CID 139576224
tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-ethylamino]-2-oxoethyl]carbamate
CID 162409667
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 60742338
2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14542366
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
CID 24689070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate (CID 141407749) is tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate is CCN(CCN(C)C)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate?
The InChIKey is JHQFVZQCESOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-7-16(9-8-15(5)6)11(17)10-14-12(18)19-13(2,3)4/h7-10H2,1-6H3,(H,14,18).
What are the key properties of tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate has a molecular weight of 273.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 141407749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).