3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea

C12H25N3O2 — CID 97355533

IUPAC3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)12(16)13-9-14-7-10(3)17-11(4)8-14/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyJWZDHOVGNVNEGW-GHMZBOCLSA-N
MW243.35 g/mol
LogP1.10
Rot. Bonds4

About 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea (PubChem CID 97355533) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea
PubChem CID97355533
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)12(16)13-9-14-7-10(3)17-11(4)8-14/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyJWZDHOVGNVNEGW-GHMZBOCLSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 78886950
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-2-oxoacetamide
CID 108504011
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
[(2R,6S)-2,6-dimethylmorpholin-4-yl]methylhydrazine
CID 135371518
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 56782565
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(methylcarbamoyl)acetamide
CID 8520083
(2,6-dimethylmorpholin-4-yl)methanethiol
CID 90819554
N-ethyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylacetamide
CID 102935999
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 84597365

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea?
The IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea (CID 97355533) is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea?
The canonical SMILES for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea is CCN(CC)C(=O)NCN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea?
The InChIKey is JWZDHOVGNVNEGW-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-15(6-2)12(16)13-9-14-7-10(3)17-11(4)8-14/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1.
What are the key properties of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea?
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea has a molecular weight of 243.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea is sourced from PubChem (CID 97355533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).