(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium

C20H27N2O2+ — CID 8799368

IUPAC(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-6-10-18(11-7-16)21-20(23)15-22(3)14-17-8-12-19(13-9-17)24-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)/p+1
InChIKeyAHWNLDUWCKDALZ-UHFFFAOYSA-O
MW327.45 g/mol
LogP2.30
Rot. Bonds8

About (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium

(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8799368) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8799368
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-6-10-18(11-7-16)21-20(23)15-22(3)14-17-8-12-19(13-9-17)24-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)/p+1
InChIKeyAHWNLDUWCKDALZ-UHFFFAOYSA-O
XLogP2.30
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium (CID 8799368) is (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is AHWNLDUWCKDALZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-6-10-18(11-7-16)21-20(23)15-22(3)14-17-8-12-19(13-9-17)24-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium?
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 327.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8799368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).