3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide

C21H28N3O4+ — CID 9410455

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
SMILESC[C@@H]1C[NH+](CCC(=O)NNC(=O)COc2ccc3ccccc3c2)C[C@@H](C)O1
InChIInChI=1S/C21H27N3O4/c1-15-12-24(13-16(2)28-15)10-9-20(25)22-23-21(26)14-27-19-8-7-17-5-3-4-6-18(17)11-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t15-,16-/m1/s1
InChIKeyJCWVJIVXBUEJRW-HZPDHXFCSA-O
MW386.47 g/mol
LogP0.45
Rot. Bonds6

About 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide

3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide (PubChem CID 9410455) has the molecular formula C21H28N3O4+ and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
PubChem CID9410455
Molecular FormulaC21H28N3O4+
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
SMILESC[C@@H]1C[NH+](CCC(=O)NNC(=O)COc2ccc3ccccc3c2)C[C@@H](C)O1
InChIInChI=1S/C21H27N3O4/c1-15-12-24(13-16(2)28-15)10-9-20(25)22-23-21(26)14-27-19-8-7-17-5-3-4-6-18(17)11-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t15-,16-/m1/s1
InChIKeyJCWVJIVXBUEJRW-HZPDHXFCSA-O
XLogP0.45
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9410333
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 4137273
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-(2-fluorophenyl)thiourea
CID 8785581
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide (CID 9410455) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide is C[C@@H]1C[NH+](CCC(=O)NNC(=O)COc2ccc3ccccc3c2)C[C@@H](C)O1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The InChIKey is JCWVJIVXBUEJRW-HZPDHXFCSA-O. The full InChI is InChI=1S/C21H27N3O4/c1-15-12-24(13-16(2)28-15)10-9-20(25)22-23-21(26)14-27-19-8-7-17-5-3-4-6-18(17)11-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1/t15-,16-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide has a molecular weight of 386.47 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide is sourced from PubChem (CID 9410455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).