oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

C15H26N2O4 — CID 71148450

IUPACoxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCC1CCOC1)N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)13(17-5-8-19-9-6-17)16-14(18)21-11-12-4-7-20-10-12/h12H,4-11H2,1-3H3
InChIKeyMJAPJQBBSXFPKP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds2

About oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71148450) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID71148450
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameoxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCC1CCOC1)N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)13(17-5-8-19-9-6-17)16-14(18)21-11-12-4-7-20-10-12/h12H,4-11H2,1-3H3
InChIKeyMJAPJQBBSXFPKP-UHFFFAOYSA-N
XLogP1.94
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228089
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
oxolan-3-ylmethyl N-[[[2-[(4-cyano-1-methylpiperidin-4-yl)carbamoyl]cyclohexyl]-ethylamino]-morpholin-4-ylmethylidene]carbamate
CID 90773404
N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119118475

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (CID 71148450) is oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is CC(C)(C)C(=NC(=O)OCC1CCOC1)N1CCOCC1.
What is the InChIKey of oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is MJAPJQBBSXFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)13(17-5-8-19-9-6-17)16-14(18)21-11-12-4-7-20-10-12/h12H,4-11H2,1-3H3.
What are the key properties of oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 298.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71148450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).