2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate

C12H25N3O4 — CID 91281595

IUPAC2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate
SMILESCNC(=O)OCCN(C)CCOC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O4/c1-12(2,3)14-11(17)19-9-7-15(5)6-8-18-10(16)13-4/h6-9H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyOTCLLYSOHKKQHI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.80
Rot. Bonds6

About 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate

2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate (PubChem CID 91281595) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate
PubChem CID91281595
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate
SMILESCNC(=O)OCCN(C)CCOC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O4/c1-12(2,3)14-11(17)19-9-7-15(5)6-8-18-10(16)13-4/h6-9H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyOTCLLYSOHKKQHI-UHFFFAOYSA-N
XLogP0.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
CID 167524612
2-[2-(2-bromo-2-methylpropanoyl)oxyethyl-methylamino]ethyl 2-bromo-2-methylpropanoate
CID 102025529
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
CID 20759309
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate (CID 91281595) is 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate is CNC(=O)OCCN(C)CCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate?
The InChIKey is OTCLLYSOHKKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-12(2,3)14-11(17)19-9-7-15(5)6-8-18-10(16)13-4/h6-9H2,1-5H3,(H,13,16)(H,14,17).
What are the key properties of 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate?
2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate has a molecular weight of 275.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 91281595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).