tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate

C15H28N2O4 — CID 19753882

IUPACtert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate
SMILESCN(CCCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16(4)8-6-5-7-13(18)17-9-11-20-12-10-17/h5-12H2,1-4H3
InChIKeyQAIWJEOGWSZFDO-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.88
Rot. Bonds5

About tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate

tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate (PubChem CID 19753882) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate
PubChem CID19753882
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate
SMILESCN(CCCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16(4)8-6-5-7-13(18)17-9-11-20-12-10-17/h5-12H2,1-4H3
InChIKeyQAIWJEOGWSZFDO-UHFFFAOYSA-N
XLogP1.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate (CID 19753882) is tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate is CN(CCCCC(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate?
The InChIKey is QAIWJEOGWSZFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)21-14(19)16(4)8-6-5-7-13(18)17-9-11-20-12-10-17/h5-12H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate?
tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(5-morpholin-4-yl-5-oxopentyl)carbamate is sourced from PubChem (CID 19753882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).