(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

C23H33N3O3+2 — CID 8695125

IUPAC(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-29-22-10-6-19(7-11-22)16-25(2)18-23(27)24-21-8-4-20(5-9-21)17-26-12-14-28-15-13-26/h4-11H,3,12-18H2,1-2H3,(H,24,27)/p+2
InChIKeyWAUWTQGIAOZTAB-UHFFFAOYSA-P
MW399.54 g/mol
LogP0.15
Rot. Bonds9

About (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (PubChem CID 8695125) has the molecular formula C23H33N3O3+2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
PubChem CID8695125
Molecular FormulaC23H33N3O3+2
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-29-22-10-6-19(7-11-22)16-25(2)18-23(27)24-21-8-4-20(5-9-21)17-26-12-14-28-15-13-26/h4-11H,3,12-18H2,1-2H3,(H,24,27)/p+2
InChIKeyWAUWTQGIAOZTAB-UHFFFAOYSA-P
XLogP0.15
TPSA56.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8694855
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
(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]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
[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]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 7315056

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (CID 8695125) is (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The InChIKey is WAUWTQGIAOZTAB-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O3/c1-3-29-22-10-6-19(7-11-22)16-25(2)18-23(27)24-21-8-4-20(5-9-21)17-26-12-14-28-15-13-26/h4-11H,3,12-18H2,1-2H3,(H,24,27)/p+2.
What are the key properties of (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium has a molecular weight of 399.54 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8695125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).