4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide

C26H35N3O5 — CID 55781235

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1OC
InChIInChI=1S/C26H35N3O5/c1-5-27-25(30)17-33-23-11-8-21(12-24(23)32-4)13-28-26(31)22-9-6-20(7-10-22)16-29-14-18(2)34-19(3)15-29/h6-12,18-19H,5,13-17H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyAFCZOZJZKSHVDW-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.75
Rot. Bonds10

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide (PubChem CID 55781235) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
PubChem CID55781235
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1OC
InChIInChI=1S/C26H35N3O5/c1-5-27-25(30)17-33-23-11-8-21(12-24(23)32-4)13-28-26(31)22-9-6-20(7-10-22)16-29-14-18(2)34-19(3)15-29/h6-12,18-19H,5,13-17H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyAFCZOZJZKSHVDW-UHFFFAOYSA-N
XLogP2.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-benzyl-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-2-methoxyphenoxy]acetamide
CID 126241124
2-[4-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 120769544
N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 97352393
3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774774
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86979197
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide (CID 55781235) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide is CCNC(=O)COc1ccc(CNC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1OC.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The InChIKey is AFCZOZJZKSHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-5-27-25(30)17-33-23-11-8-21(12-24(23)32-4)13-28-26(31)22-9-6-20(7-10-22)16-29-14-18(2)34-19(3)15-29/h6-12,18-19H,5,13-17H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide has a molecular weight of 469.58 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 55781235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).