tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate

C14H27N3O4 — CID 54556508

IUPACtert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17(7-6-15(4)5)12(18)16-8-10-20-11-9-16/h6-11H2,1-5H3
InChIKeyZNNPQCOOLUINTH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate

tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate (PubChem CID 54556508) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate
PubChem CID54556508
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17(7-6-15(4)5)12(18)16-8-10-20-11-9-16/h6-11H2,1-5H3
InChIKeyZNNPQCOOLUINTH-UHFFFAOYSA-N
XLogP1.24
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate?
The IUPAC name of tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate (CID 54556508) is tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate is CN(C)CCN(C(=O)OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate?
The InChIKey is ZNNPQCOOLUINTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17(7-6-15(4)5)12(18)16-8-10-20-11-9-16/h6-11H2,1-5H3.
What are the key properties of tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate?
tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate has a molecular weight of 301.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dimethylamino)ethyl]-N-(morpholine-4-carbonyl)carbamate is sourced from PubChem (CID 54556508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).