dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium

C19H22NO5+ — CID 19962804

IUPACdimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium
SMILESC[N+](C)(CCOC(=O)Oc1ccccc1)CC(=O)Oc1ccccc1
InChIInChI=1S/C19H22NO5/c1-20(2,15-18(21)24-16-9-5-3-6-10-16)13-14-23-19(22)25-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
InChIKeyUPELZGASBABOEY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds7

About dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium

dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium (PubChem CID 19962804) has the molecular formula C19H22NO5+ and a molecular weight of 344.39 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium
PubChem CID19962804
Molecular FormulaC19H22NO5+
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namedimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium
SMILESC[N+](C)(CCOC(=O)Oc1ccccc1)CC(=O)Oc1ccccc1
InChIInChI=1S/C19H22NO5/c1-20(2,15-18(21)24-16-9-5-3-6-10-16)13-14-23-19(22)25-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
InChIKeyUPELZGASBABOEY-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-bis(2-phenoxycarbonyloxyethyl)azanium;methyl sulfate
CID 19962810
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
(dimethylamino)methyl phenyl carbonate
CID 59882405
phenyl propanoate
CID 161258381
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
CID 161494205
CID 161494205
acetamide;phenyl propanoate
CID 175120271
phenyl 3-hydroxybutanoate
CID 15128113
benzyl-[2-[4-[2-[benzyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium dibromide
CID 18528273
diphenyl carbonate;ethane;molecular iodine
CID 159087497
phenyl 3-(3-butoxycarbonyloxyphenyl)propanoate
CID 174801424

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium?
The IUPAC name of dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium (CID 19962804) is dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium.
What is the SMILES notation for dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium?
The canonical SMILES for dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium is C[N+](C)(CCOC(=O)Oc1ccccc1)CC(=O)Oc1ccccc1.
What is the InChIKey of dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium?
The InChIKey is UPELZGASBABOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO5/c1-20(2,15-18(21)24-16-9-5-3-6-10-16)13-14-23-19(22)25-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1.
What are the key properties of dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium?
dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium has a molecular weight of 344.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium is sourced from PubChem (CID 19962804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).