[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C19H27N2O4+ — CID 8810405

IUPAC[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCCOc1ccc(OCCNC(=O)C[NH+](C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C19H26N2O4/c1-4-23-16-7-9-17(10-8-16)24-12-11-20-19(22)14-21(3)13-18-6-5-15(2)25-18/h5-10H,4,11-14H2,1-3H3,(H,20,22)/p+1
InChIKeyVJERBKQPRXDHLE-UHFFFAOYSA-O
MW347.44 g/mol
LogP1.20
Rot. Bonds10

About [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810405) has the molecular formula C19H27N2O4+ and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810405
Molecular FormulaC19H27N2O4+
Molecular Weight347.44 g/mol
Exact Mass347.20
IUPAC Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCCOc1ccc(OCCNC(=O)C[NH+](C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C19H26N2O4/c1-4-23-16-7-9-17(10-8-16)24-12-11-20-19(22)14-21(3)13-18-6-5-15(2)25-18/h5-10H,4,11-14H2,1-3H3,(H,20,22)/p+1
InChIKeyVJERBKQPRXDHLE-UHFFFAOYSA-O
XLogP1.20
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.20
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-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810331
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 8925963
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810391
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681305
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 8925889
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125919
(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 8024025

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8810405) is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is CCOc1ccc(OCCNC(=O)C[NH+](C)Cc2ccc(C)o2)cc1.
What is the InChIKey of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is VJERBKQPRXDHLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N2O4/c1-4-23-16-7-9-17(10-8-16)24-12-11-20-19(22)14-21(3)13-18-6-5-15(2)25-18/h5-10H,4,11-14H2,1-3H3,(H,20,22)/p+1.
What are the key properties of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 347.44 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).