N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide

C23H30N2O3 — CID 55526447

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NCCN3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C23H30N2O3/c1-17-6-4-7-20(12-17)16-27-22-9-5-8-21(13-22)23(26)24-10-11-25-14-18(2)28-19(3)15-25/h4-9,12-13,18-19H,10-11,14-16H2,1-3H3,(H,24,26)
InChIKeyFFTQXACKHKDWOM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide (PubChem CID 55526447) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
PubChem CID55526447
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NCCN3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C23H30N2O3/c1-17-6-4-7-20(12-17)16-27-22-9-5-8-21(13-22)23(26)24-10-11-25-14-18(2)28-19(3)15-25/h4-9,12-13,18-19H,10-11,14-16H2,1-3H3,(H,24,26)
InChIKeyFFTQXACKHKDWOM-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide (CID 55526447) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2cccc(C(=O)NCCN3CC(C)OC(C)C3)c2)c1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is FFTQXACKHKDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-6-4-7-20(12-17)16-27-22-9-5-8-21(13-22)23(26)24-10-11-25-14-18(2)28-19(3)15-25/h4-9,12-13,18-19H,10-11,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 55526447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).