[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

C17H25ClN3O4+ — CID 8693249

IUPAC[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESC[NH+](CC(=O)NCCOc1ccc(Cl)cc1)CC(=O)N1CCOCC1
InChIInChI=1S/C17H24ClN3O4/c1-20(13-17(23)21-7-10-24-11-8-21)12-16(22)19-6-9-25-15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3,(H,19,22)/p+1
InChIKeyFHLSCAYAYOCPKP-UHFFFAOYSA-O
MW370.86 g/mol
LogP-0.79
Rot. Bonds8

About [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8693249) has the molecular formula C17H25ClN3O4+ and a molecular weight of 370.86 g/mol. Its IUPAC name is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8693249
Molecular FormulaC17H25ClN3O4+
Molecular Weight370.86 g/mol
Exact Mass370.15
IUPAC Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESC[NH+](CC(=O)NCCOc1ccc(Cl)cc1)CC(=O)N1CCOCC1
InChIInChI=1S/C17H24ClN3O4/c1-20(13-17(23)21-7-10-24-11-8-21)12-16(22)19-6-9-25-15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3,(H,19,22)/p+1
InChIKeyFHLSCAYAYOCPKP-UHFFFAOYSA-O
XLogP-0.79
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913671
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 47059248
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 8925889
[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711576
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133327
N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889633
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8693249) is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is C[NH+](CC(=O)NCCOc1ccc(Cl)cc1)CC(=O)N1CCOCC1.
What is the InChIKey of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is FHLSCAYAYOCPKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24ClN3O4/c1-20(13-17(23)21-7-10-24-11-8-21)12-16(22)19-6-9-25-15-4-2-14(18)3-5-15/h2-5H,6-13H2,1H3,(H,19,22)/p+1.
What are the key properties of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 370.86 g/mol, XLogP of -0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8693249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).