2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

C13H19ClN3O3+ — CID 8676736

IUPAC2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3/c1-15-13(19)16-12(18)9-17(2)7-8-20-11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H2,15,16,18,19)/p+1
InChIKeyRDZDPBAJEMBSMJ-UHFFFAOYSA-O
MW300.77 g/mol
LogP-0.31
Rot. Bonds6

About 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8676736) has the molecular formula C13H19ClN3O3+ and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8676736
Molecular FormulaC13H19ClN3O3+
Molecular Weight300.77 g/mol
Exact Mass300.11
IUPAC Name2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3/c1-15-13(19)16-12(18)9-17(2)7-8-20-11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H2,15,16,18,19)/p+1
InChIKeyRDZDPBAJEMBSMJ-UHFFFAOYSA-O
XLogP-0.31
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
2-(4-chlorophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9252388
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252392
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797396
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
CID 8767256
2-(4-chlorophenoxy)ethyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylazanium
CID 9252441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8676736) is 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CNC(=O)NC(=O)C[NH+](C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is RDZDPBAJEMBSMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18ClN3O3/c1-15-13(19)16-12(18)9-17(2)7-8-20-11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H2,15,16,18,19)/p+1.
What are the key properties of 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 300.77 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8676736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).