4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

C21H27N2O3+ — CID 9481322

IUPAC4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-16-17-6-8-18(9-7-17)21(24)22-14-19-4-2-3-5-20(19)15-23-10-12-26-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)/p+1
InChIKeyPUEPUQNDLWBDDP-UHFFFAOYSA-O
MW355.46 g/mol
LogP1.18
Rot. Bonds7

About 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481322) has the molecular formula C21H27N2O3+ and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481322
Molecular FormulaC21H27N2O3+
Molecular Weight355.46 g/mol
Exact Mass355.20
IUPAC Name4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-16-17-6-8-18(9-7-17)21(24)22-14-19-4-2-3-5-20(19)15-23-10-12-26-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)/p+1
InChIKeyPUEPUQNDLWBDDP-UHFFFAOYSA-O
XLogP1.18
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8969424
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481568

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (CID 9481322) is 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is COCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is PUEPUQNDLWBDDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O3/c1-25-16-17-6-8-18(9-7-17)21(24)22-14-19-4-2-3-5-20(19)15-23-10-12-26-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)/p+1.
What are the key properties of 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).