[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium

C13H21N2O3+ — CID 1384360

IUPAC[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium
SMILESCOc1ccc(OC(=O)N(C)C)c(C[NH+](C)C)c1
InChIInChI=1S/C13H20N2O3/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4/h6-8H,9H2,1-5H3/p+1
InChIKeyAXHUPMKXGMVUKZ-UHFFFAOYSA-O
MW253.32 g/mol
LogP0.40
Rot. Bonds4

About [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium

[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium (PubChem CID 1384360) has the molecular formula C13H21N2O3+ and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium
PubChem CID1384360
Molecular FormulaC13H21N2O3+
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium
SMILESCOc1ccc(OC(=O)N(C)C)c(C[NH+](C)C)c1
InChIInChI=1S/C13H20N2O3/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4/h6-8H,9H2,1-5H3/p+1
InChIKeyAXHUPMKXGMVUKZ-UHFFFAOYSA-O
XLogP0.40
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride
CID 53313579
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691
[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride
CID 44659026
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43276278
2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120686315
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
[4-methoxy-2-[(2S)-2-methyl-3-oxobutyl]phenyl] acetate
CID 132990171

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium?
The IUPAC name of [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium (CID 1384360) is [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium?
The canonical SMILES for [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium is COc1ccc(OC(=O)N(C)C)c(C[NH+](C)C)c1.
What is the InChIKey of [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium?
The InChIKey is AXHUPMKXGMVUKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O3/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4/h6-8H,9H2,1-5H3/p+1.
What are the key properties of [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium?
[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium has a molecular weight of 253.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium is sourced from PubChem (CID 1384360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).