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

C16H28N2O4 — CID 71148449

IUPACoxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCC1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)14(18-6-10-21-11-7-18)17-15(19)22-12-13-4-8-20-9-5-13/h13H,4-12H2,1-3H3
InChIKeyVCQYNQQENMIKGW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.33
Rot. Bonds2

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

oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71148449) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Nameoxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID71148449
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nameoxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)(C)C(=NC(=O)OCC1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)14(18-6-10-21-11-7-18)17-15(19)22-12-13-4-8-20-9-5-13/h13H,4-12H2,1-3H3
InChIKeyVCQYNQQENMIKGW-UHFFFAOYSA-N
XLogP2.33
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.33
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

oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
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
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
oxan-4-ylmethyl carbamate
CID 134587773
N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (CID 71148449) is oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is CC(C)(C)C(=NC(=O)OCC1CCOCC1)N1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is VCQYNQQENMIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)14(18-6-10-21-11-7-18)17-15(19)22-12-13-4-8-20-9-5-13/h13H,4-12H2,1-3H3.
What are the key properties of oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 312.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71148449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).