4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide

C17H26N2O3 — CID 129483089

IUPAC4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2C[C@H](COC)OC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2)12-19(10-15(22-17)11-21-4)9-13-5-7-14(8-6-13)16(20)18-3/h5-8,15H,9-12H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyPKLRZFSPNDICBU-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.67
Rot. Bonds5

About 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide

4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide (PubChem CID 129483089) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
PubChem CID129483089
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2C[C@H](COC)OC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2)12-19(10-15(22-17)11-21-4)9-13-5-7-14(8-6-13)16(20)18-3/h5-8,15H,9-12H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyPKLRZFSPNDICBU-OAHLLOKOSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 167885794
4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482524
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350850
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
CID 154738911
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541

Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide (CID 129483089) is 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN2C[C@H](COC)OC(C)(C)C2)cc1.
What is the InChIKey of 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is PKLRZFSPNDICBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2)12-19(10-15(22-17)11-21-4)9-13-5-7-14(8-6-13)16(20)18-3/h5-8,15H,9-12H2,1-4H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide?
4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 129483089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).