N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C21H25N3O2 — CID 3696769

IUPACN-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H25N3O2/c1-16-13-24(14-17(2)26-16)15-20(25)22-23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,22,25)
InChIKeyCGMYGPAGIWQBBA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.66
Rot. Bonds5

About N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 3696769) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID3696769
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H25N3O2/c1-16-13-24(14-17(2)26-16)15-20(25)22-23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,22,25)
InChIKeyCGMYGPAGIWQBBA-UHFFFAOYSA-N
XLogP2.66
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 3696769) is N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is CGMYGPAGIWQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-13-24(14-17(2)26-16)15-20(25)22-23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 3696769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).