2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide

C19H30N2O2 — CID 110746745

IUPAC2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C19H30N2O2/c1-18(2,3)13-20-17(22)21-12-16(23-14-19(21,4)5)11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,20,22)
InChIKeyXVIMVXSJFNLGHH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds3

About 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide

2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide (PubChem CID 110746745) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
PubChem CID110746745
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C19H30N2O2/c1-18(2,3)13-20-17(22)21-12-16(23-14-19(21,4)5)11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,20,22)
InChIKeyXVIMVXSJFNLGHH-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
CID 110643761
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110643790
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
CID 110707040
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
2-benzyl-4-(4-fluoro-2-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110643831
[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110707034
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide
CID 110749582
2-benzyl-4,4-dimethyloxolane
CID 102308399

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide (CID 110746745) is 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide is CC(C)(C)CNC(=O)N1CC(Cc2ccccc2)OCC1(C)C.
What is the InChIKey of 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide?
The InChIKey is XVIMVXSJFNLGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)13-20-17(22)21-12-16(23-14-19(21,4)5)11-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,20,22).
What are the key properties of 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide?
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110746745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).