N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

C29H39N3O4 — CID 55801206

IUPACN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1
InChIInChI=1S/C29H39N3O4/c1-20-8-7-9-21(2)32(20)28(33)19-35-26-14-12-24(13-15-26)29(34)30-27-11-6-5-10-25(27)18-31-16-22(3)36-23(4)17-31/h5-6,10-15,20-23H,7-9,16-19H2,1-4H3,(H,30,34)
InChIKeyNZEVEFXOGYNDBQ-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.72
Rot. Bonds7

About N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 55801206) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
PubChem CID55801206
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1
InChIInChI=1S/C29H39N3O4/c1-20-8-7-9-21(2)32(20)28(33)19-35-26-14-12-24(13-15-26)29(34)30-27-11-6-5-10-25(27)18-31-16-22(3)36-23(4)17-31/h5-6,10-15,20-23H,7-9,16-19H2,1-4H3,(H,30,34)
InChIKeyNZEVEFXOGYNDBQ-UHFFFAOYSA-N
XLogP4.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
CID 60540539
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55455859
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835922
(2-anilino-2-oxoethyl) 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 25431521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (CID 55801206) is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is CC1CN(Cc2ccccc2NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1.
What is the InChIKey of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is NZEVEFXOGYNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-20-8-7-9-21(2)32(20)28(33)19-35-26-14-12-24(13-15-26)29(34)30-27-11-6-5-10-25(27)18-31-16-22(3)36-23(4)17-31/h5-6,10-15,20-23H,7-9,16-19H2,1-4H3,(H,30,34).
What are the key properties of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 493.65 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55801206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).