[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C16H21N2O3+ — CID 9333787

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)Cc2ccco2)cc1
InChIInChI=1S/C16H20N2O3/c1-3-20-14-8-6-13(7-9-14)17-16(19)12-18(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3,(H,17,19)/p+1
InChIKeyCDJIRZXDIADMPF-UHFFFAOYSA-O
MW289.36 g/mol
LogP1.33
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9333787) has the molecular formula C16H21N2O3+ and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9333787
Molecular FormulaC16H21N2O3+
Molecular Weight289.36 g/mol
Exact Mass289.15
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)Cc2ccco2)cc1
InChIInChI=1S/C16H20N2O3/c1-3-20-14-8-6-13(7-9-14)17-16(19)12-18(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3,(H,17,19)/p+1
InChIKeyCDJIRZXDIADMPF-UHFFFAOYSA-O
XLogP1.33
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 8024025
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
(1R,2R,3R,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1375072
(1R,2R,3S,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6970033

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 9333787) is [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is CCOc1ccc(NC(=O)C[NH+](C)Cc2ccco2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is CDJIRZXDIADMPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-3-20-14-8-6-13(7-9-14)17-16(19)12-18(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3,(H,17,19)/p+1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 289.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9333787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).