tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane

C19H37N3O4 — CID 171811078

IUPACtert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane
SMILESCC.CC.CC1=CNNC(OCC2CN(C(=O)OC(C)(C)C)CCO2)=C1
InChIInChI=1S/C15H25N3O4.2C2H6/c1-11-7-13(17-16-8-11)21-10-12-9-18(5-6-20-12)14(19)22-15(2,3)4;2*1-2/h7-8,12,16-17H,5-6,9-10H2,1-4H3;2*1-2H3
InChIKeyCXRFGSNAUDFZNF-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane

tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane (PubChem CID 171811078) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane
PubChem CID171811078
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Nametert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane
SMILESCC.CC.CC1=CNNC(OCC2CN(C(=O)OC(C)(C)C)CCO2)=C1
InChIInChI=1S/C15H25N3O4.2C2H6/c1-11-7-13(17-16-8-11)21-10-12-9-18(5-6-20-12)14(19)22-15(2,3)4;2*1-2/h7-8,12,16-17H,5-6,9-10H2,1-4H3;2*1-2H3
InChIKeyCXRFGSNAUDFZNF-UHFFFAOYSA-N
XLogP3.54
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 2-(chloromethyl)morpholine-4-carboxylate;tert-butyl 2-[(4-methoxycarbonylphenoxy)methyl]morpholine-4-carboxylate;methyl 4-hydroxybenzoate
CID 159840394
tert-butyl (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxylate
CID 86706987
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
CID 168707579

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane?
The IUPAC name of tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane (CID 171811078) is tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane is CC.CC.CC1=CNNC(OCC2CN(C(=O)OC(C)(C)C)CCO2)=C1.
What is the InChIKey of tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane?
The InChIKey is CXRFGSNAUDFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4.2C2H6/c1-11-7-13(17-16-8-11)21-10-12-9-18(5-6-20-12)14(19)22-15(2,3)4;2*1-2/h7-8,12,16-17H,5-6,9-10H2,1-4H3;2*1-2H3.
What are the key properties of tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane?
tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane has a molecular weight of 371.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane is sourced from PubChem (CID 171811078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).