N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide

C26H29N2O2+ — CID 9209104

IUPACN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccccc1C[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-26(25(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-19-23-13-7-8-14-24(23)20-28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29)/p+1
InChIKeyOPSOXIOBEHZXCT-UHFFFAOYSA-O
MW401.53 g/mol
LogP2.55
Rot. Bonds7

About N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide (PubChem CID 9209104) has the molecular formula C26H29N2O2+ and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
PubChem CID9209104
Molecular FormulaC26H29N2O2+
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC NameN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccccc1C[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-26(25(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-19-23-13-7-8-14-24(23)20-28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29)/p+1
InChIKeyOPSOXIOBEHZXCT-UHFFFAOYSA-O
XLogP2.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754346
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481616
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481322
(E)-3-(4-bromophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481446
2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate
CID 26667820
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 21175532
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
1-cyclohexyl-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea
CID 9283884
(E)-3-(3-methylthiophen-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481514

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide (CID 9209104) is N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide is O=C(NCc1ccccc1C[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The InChIKey is OPSOXIOBEHZXCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H28N2O2/c29-26(25(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-19-23-13-7-8-14-24(23)20-28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29)/p+1.
What are the key properties of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide has a molecular weight of 401.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 9209104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).