N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide

C17H21N2O2+ — CID 6951819

IUPACN-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc2ccccc2c1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C17H20N2O2/c1-13-6-7-14-4-2-3-5-15(14)17(13)18-16(20)12-19-8-10-21-11-9-19/h2-7H,8-12H2,1H3,(H,18,20)/p+1
InChIKeySGKZLMSPLGPICT-UHFFFAOYSA-O
MW285.37 g/mol
LogP1.00
Rot. Bonds3

About N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide

N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6951819) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID6951819
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc2ccccc2c1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C17H20N2O2/c1-13-6-7-14-4-2-3-5-15(14)17(13)18-16(20)12-19-8-10-21-11-9-19/h2-7H,8-12H2,1H3,(H,18,20)/p+1
InChIKeySGKZLMSPLGPICT-UHFFFAOYSA-O
XLogP1.00
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
CID 3330031
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6969782
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 4169686
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
2-morpholin-4-ium-4-yl-N-(2-phenylphenyl)acetamide
CID 6951855
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 7037712
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide (CID 6951819) is N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide is Cc1ccc2ccccc2c1NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is SGKZLMSPLGPICT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-7-14-4-2-3-5-15(14)17(13)18-16(20)12-19-8-10-21-11-9-19/h2-7H,8-12H2,1H3,(H,18,20)/p+1.
What are the key properties of N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide?
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6951819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).