4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide

C20H22N2O4 — CID 95138688

IUPAC4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H22N2O4/c1-14-11-22(12-18(26-14)15-5-3-2-4-6-15)19(23)13-25-17-9-7-16(8-10-17)20(21)24/h2-10,14,18H,11-13H2,1H3,(H2,21,24)/t14-,18+/m1/s1
InChIKeyBTPQGMZRILNRJQ-KDOFPFPSSA-N
MW354.41 g/mol
LogP2.15
Rot. Bonds5

About 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide

4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide (PubChem CID 95138688) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
PubChem CID95138688
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H22N2O4/c1-14-11-22(12-18(26-14)15-5-3-2-4-6-15)19(23)13-25-17-9-7-16(8-10-17)20(21)24/h2-10,14,18H,11-13H2,1H3,(H2,21,24)/t14-,18+/m1/s1
InChIKeyBTPQGMZRILNRJQ-KDOFPFPSSA-N
XLogP2.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 47914947
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide (CID 95138688) is 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide is C[C@@H]1CN(C(=O)COc2ccc(C(N)=O)cc2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide?
The InChIKey is BTPQGMZRILNRJQ-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-11-22(12-18(26-14)15-5-3-2-4-6-15)19(23)13-25-17-9-7-16(8-10-17)20(21)24/h2-10,14,18H,11-13H2,1H3,(H2,21,24)/t14-,18+/m1/s1.
What are the key properties of 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide?
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 95138688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).