2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium

C16H25BrN3O3+ — CID 8842511

IUPAC2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium
SMILESCC(C)NC(=O)CNC(=O)C[NH+](C)CCOc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O3/c1-12(2)19-15(21)10-18-16(22)11-20(3)8-9-23-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,19,21)/p+1
InChIKeySQQOQGXMZIZHKZ-UHFFFAOYSA-O
MW387.30 g/mol
LogP-0.02
Rot. Bonds9

About 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium

2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium (PubChem CID 8842511) has the molecular formula C16H25BrN3O3+ and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium
PubChem CID8842511
Molecular FormulaC16H25BrN3O3+
Molecular Weight387.30 g/mol
Exact Mass386.11
IUPAC Name2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium
SMILESCC(C)NC(=O)CNC(=O)C[NH+](C)CCOc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O3/c1-12(2)19-15(21)10-18-16(22)11-20(3)8-9-23-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,19,21)/p+1
InChIKeySQQOQGXMZIZHKZ-UHFFFAOYSA-O
XLogP-0.02
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium with MolForge

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Related Compounds

2-(4-bromophenoxy)ethyl-[2-(4-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9288880
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797396
2-(4-bromophenoxy)ethyl-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9288816
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[(2S)-1-amino-1-oxopropan-2-yl]-[2-(4-bromophenoxy)ethyl]-methylazanium
CID 8842341
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
CID 8767256
2-[2-(4-bromophenoxy)ethyl]-1-propan-2-ylguanidine
CID 111088989
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium?
The IUPAC name of 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium (CID 8842511) is 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium?
The canonical SMILES for 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium is CC(C)NC(=O)CNC(=O)C[NH+](C)CCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium?
The InChIKey is SQQOQGXMZIZHKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24BrN3O3/c1-12(2)19-15(21)10-18-16(22)11-20(3)8-9-23-14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,19,21)/p+1.
What are the key properties of 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium?
2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium has a molecular weight of 387.30 g/mol, XLogP of -0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium is sourced from PubChem (CID 8842511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).