N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C21H25N3O2 — CID 1488902

IUPACN-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@H](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)/t16-,17+
InChIKeyCGMYGPAGIWQBBA-CALCHBBNSA-N
MW351.45 g/mol
LogP2.66
Rot. Bonds5

About N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 1488902) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID1488902
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@H](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)/t16-,17+
InChIKeyCGMYGPAGIWQBBA-CALCHBBNSA-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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Related Compounds

N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
CID 86908311
N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 1488902) is N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is CGMYGPAGIWQBBA-CALCHBBNSA-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)/t16-,17+.
What are the key properties of N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-(benzhydrylideneamino)-2-[(2R,6S)-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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 1488902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).