diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C13H21N2O2+ — CID 7447498

IUPACdiethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)10-13(16)14-11-8-6-7-9-12(11)17-3/h6-9H,4-5,10H2,1-3H3,(H,14,16)/p+1
InChIKeyMULDTYNOXOMLNF-UHFFFAOYSA-O
MW237.32 g/mol
LogP0.56
Rot. Bonds6

About diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 7447498) has the molecular formula C13H21N2O2+ and a molecular weight of 237.32 g/mol. Its IUPAC name is diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID7447498
Molecular FormulaC13H21N2O2+
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Namediethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)10-13(16)14-11-8-6-7-9-12(11)17-3/h6-9H,4-5,10H2,1-3H3,(H,14,16)/p+1
InChIKeyMULDTYNOXOMLNF-UHFFFAOYSA-O
XLogP0.56
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7999974
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8709472
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 7447498) is diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC)CC(=O)Nc1ccccc1OC.
What is the InChIKey of diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is MULDTYNOXOMLNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(5-2)10-13(16)14-11-8-6-7-9-12(11)17-3/h6-9H,4-5,10H2,1-3H3,(H,14,16)/p+1.
What are the key properties of diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 237.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 7447498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).