N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide

C16H25NO2P+ — CID 156737700

IUPACN-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
SMILESCOc1cc(C)c(NC(=O)C[P+]2(C)CCCC2)c(C)c1
InChIInChI=1S/C16H24NO2P/c1-12-9-14(19-3)10-13(2)16(12)17-15(18)11-20(4)7-5-6-8-20/h9-10H,5-8,11H2,1-4H3/p+1
InChIKeyOVNPLFYAGSTTOR-UHFFFAOYSA-O
MW294.36 g/mol
LogP3.69
Rot. Bonds4

About N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide

N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide (PubChem CID 156737700) has the molecular formula C16H25NO2P+ and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
PubChem CID156737700
Molecular FormulaC16H25NO2P+
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
SMILESCOc1cc(C)c(NC(=O)C[P+]2(C)CCCC2)c(C)c1
InChIInChI=1S/C16H24NO2P/c1-12-9-14(19-3)10-13(2)16(12)17-15(18)11-20(4)7-5-6-8-20/h9-10H,5-8,11H2,1-4H3/p+1
InChIKeyOVNPLFYAGSTTOR-UHFFFAOYSA-O
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737733
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 158002068
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)acetamide;yttrium
CID 158013703
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
2-(1-ethylphosphepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 157122609
N'-(4-methoxy-2,6-dimethylphenyl)oxamide
CID 22638433
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
CID 159170145
tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
CID 157204933
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
methyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate
CID 158369787

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide (CID 156737700) is N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide is COc1cc(C)c(NC(=O)C[P+]2(C)CCCC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide?
The InChIKey is OVNPLFYAGSTTOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24NO2P/c1-12-9-14(19-3)10-13(2)16(12)17-15(18)11-20(4)7-5-6-8-20/h9-10H,5-8,11H2,1-4H3/p+1.
What are the key properties of N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide?
N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide is sourced from PubChem (CID 156737700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).