methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium

C13H20N3O3+ — CID 8555496

IUPACmethyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
SMILESCNC(=O)NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-14-13(18)15-12(17)10-16(2)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15,17,18)/p+1
InChIKeyVBNVMQTXOVWIBF-UHFFFAOYSA-O
MW266.32 g/mol
LogP-0.96
Rot. Bonds6

About methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium

methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium (PubChem CID 8555496) has the molecular formula C13H20N3O3+ and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
PubChem CID8555496
Molecular FormulaC13H20N3O3+
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Namemethyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
SMILESCNC(=O)NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-14-13(18)15-12(17)10-16(2)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15,17,18)/p+1
InChIKeyVBNVMQTXOVWIBF-UHFFFAOYSA-O
XLogP-0.96
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797396
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8754904
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium?
The IUPAC name of methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium (CID 8555496) is methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium.
What is the SMILES notation for methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium?
The canonical SMILES for methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium is CNC(=O)NC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium?
The InChIKey is VBNVMQTXOVWIBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O3/c1-14-13(18)15-12(17)10-16(2)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,14,15,17,18)/p+1.
What are the key properties of methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium?
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium has a molecular weight of 266.32 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8555496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).