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

C18H25N2O4+ — CID 8810331

IUPAC[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCOc1ccccc1OCCNC(=O)C[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-14-8-9-15(24-14)12-20(2)13-18(21)19-10-11-23-17-7-5-4-6-16(17)22-3/h4-9H,10-13H2,1-3H3,(H,19,21)/p+1
InChIKeyCLHJDZVBRGERMA-UHFFFAOYSA-O
MW333.41 g/mol
LogP0.81
Rot. Bonds9

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

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810331) has the molecular formula C18H25N2O4+ and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810331
Molecular FormulaC18H25N2O4+
Molecular Weight333.41 g/mol
Exact Mass333.18
IUPAC Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCOc1ccccc1OCCNC(=O)C[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-14-8-9-15(24-14)12-20(2)13-18(21)19-10-11-23-17-7-5-4-6-16(17)22-3/h4-9H,10-13H2,1-3H3,(H,19,21)/p+1
InChIKeyCLHJDZVBRGERMA-UHFFFAOYSA-O
XLogP0.81
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.81
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-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810405
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810379
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810391
1,3-benzothiazol-2-ylmethyl-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylazanium
CID 8803605
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8810331) is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is COc1ccccc1OCCNC(=O)C[NH+](C)Cc1ccc(C)o1.
What is the InChIKey of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is CLHJDZVBRGERMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N2O4/c1-14-8-9-15(24-14)12-20(2)13-18(21)19-10-11-23-17-7-5-4-6-16(17)22-3/h4-9H,10-13H2,1-3H3,(H,19,21)/p+1.
What are the key properties of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 333.41 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).