[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

C16H24BrN4O4+ — CID 8710940

IUPAC[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN4O4/c1-3-18-14(22)9-21(4-2)10-15(23)19-20-16(24)11-25-13-7-5-12(17)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyFQTNGBIHARNDSA-UHFFFAOYSA-O
MW416.30 g/mol
LogP-0.98
Rot. Bonds9

About [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (PubChem CID 8710940) has the molecular formula C16H24BrN4O4+ and a molecular weight of 416.30 g/mol. Its IUPAC name is [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
PubChem CID8710940
Molecular FormulaC16H24BrN4O4+
Molecular Weight416.30 g/mol
Exact Mass415.10
IUPAC Name[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN4O4/c1-3-18-14(22)9-21(4-2)10-15(23)19-20-16(24)11-25-13-7-5-12(17)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1
InChIKeyFQTNGBIHARNDSA-UHFFFAOYSA-O
XLogP-0.98
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
CID 78807447
N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17357887
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054688
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (CID 8710940) is [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The InChIKey is FQTNGBIHARNDSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23BrN4O4/c1-3-18-14(22)9-21(4-2)10-15(23)19-20-16(24)11-25-13-7-5-12(17)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)/p+1.
What are the key properties of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium has a molecular weight of 416.30 g/mol, XLogP of -0.98, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8710940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).