tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate

C14H26N2O4 — CID 129239435

IUPACtert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate
SMILESCC1CNC(CCCCNC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C14H26N2O4/c1-10-9-16-11(12(17)19-10)7-5-6-8-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyHRUDFIYJBLTLSG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds5

About tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate

tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate (PubChem CID 129239435) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate
PubChem CID129239435
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate
SMILESCC1CNC(CCCCNC(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C14H26N2O4/c1-10-9-16-11(12(17)19-10)7-5-6-8-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyHRUDFIYJBLTLSG-UHFFFAOYSA-N
XLogP1.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate
CID 176665923
tert-butyl N-[4-(5-methoxy-3-oxo-1,2-dihydropyrrol-2-yl)butyl]carbamate
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tert-butyl N-[4-(4,5-diiodo-2,3-dihydro-1H-imidazol-2-yl)butyl]carbamate
CID 163859950
tert-butyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetate
CID 54108971
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
CID 83670569
tert-butyl N-[4-[(3S,9S)-9-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacycloheptadec-3-yl]butyl]carbamate
CID 145201831
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
CID 130763729
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxomorpholine-4-carboxylate;ethane
CID 154673173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate (CID 129239435) is tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate is CC1CNC(CCCCNC(=O)OC(C)(C)C)C(=O)O1.
What is the InChIKey of tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate?
The InChIKey is HRUDFIYJBLTLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-9-16-11(12(17)19-10)7-5-6-8-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate?
tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-methyl-2-oxomorpholin-3-yl)butyl]carbamate is sourced from PubChem (CID 129239435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).