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

C12H25N3O3 — CID 166846114

IUPACtert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)13-7-8-15(6)9-10(16)14(4)5/h7-9H2,1-6H3,(H,13,17)
InChIKeyJYKLXGUINHZOKR-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.53
Rot. Bonds5

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

tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate (PubChem CID 166846114) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
PubChem CID166846114
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Nametert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)13-7-8-15(6)9-10(16)14(4)5/h7-9H2,1-6H3,(H,13,17)
InChIKeyJYKLXGUINHZOKR-UHFFFAOYSA-N
XLogP0.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65142937
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CID 168851314
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
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tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
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tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 102239667
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tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
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tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate (CID 166846114) is tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate?
The InChIKey is JYKLXGUINHZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)13-7-8-15(6)9-10(16)14(4)5/h7-9H2,1-6H3,(H,13,17).
What are the key properties of tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate?
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 0.53, 5 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)-2-oxoethyl]-methylamino]ethyl]carbamate is sourced from PubChem (CID 166846114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).