N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C23H31N4O4+ — CID 9410333

IUPACN-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H]1C[NH+](CCC(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)C[C@H](C)O1
InChIInChI=1S/C23H30N4O4/c1-16-14-27(15-17(2)31-16)11-10-21(28)25-26-23(30)13-24-22(29)12-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,10-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,30)/p+1/t16-,17-/m0/s1
InChIKeyFZHCFRNGXQWXLP-IRXDYDNUSA-O
MW427.53 g/mol
LogP-0.27
Rot. Bonds7

About N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9410333) has the molecular formula C23H31N4O4+ and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9410333
Molecular FormulaC23H31N4O4+
Molecular Weight427.53 g/mol
Exact Mass427.23
IUPAC NameN-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H]1C[NH+](CCC(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)C[C@H](C)O1
InChIInChI=1S/C23H30N4O4/c1-16-14-27(15-17(2)31-16)11-10-21(28)25-26-23(30)13-24-22(29)12-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,10-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,30)/p+1/t16-,17-/m0/s1
InChIKeyFZHCFRNGXQWXLP-IRXDYDNUSA-O
XLogP-0.27
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-(2-fluorophenyl)thiourea
CID 8785581
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
CID 6941474
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9410333) is N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is C[C@H]1C[NH+](CCC(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)C[C@H](C)O1.
What is the InChIKey of N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is FZHCFRNGXQWXLP-IRXDYDNUSA-O. The full InChI is InChI=1S/C23H30N4O4/c1-16-14-27(15-17(2)31-16)11-10-21(28)25-26-23(30)13-24-22(29)12-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,10-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,30)/p+1/t16-,17-/m0/s1.
What are the key properties of N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 427.53 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9410333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).