(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

C24H35N3O4+2 — CID 8694855

IUPAC(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-4-31-22-10-7-20(15-23(22)29-3)16-26(2)18-24(28)25-21-8-5-19(6-9-21)17-27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-18H2,1-3H3,(H,25,28)/p+2
InChIKeyZCHIJYGWCPPWOA-UHFFFAOYSA-P
MW429.56 g/mol
LogP0.16
Rot. Bonds10

About (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (PubChem CID 8694855) has the molecular formula C24H35N3O4+2 and a molecular weight of 429.56 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
PubChem CID8694855
Molecular FormulaC24H35N3O4+2
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-4-31-22-10-7-20(15-23(22)29-3)16-26(2)18-24(28)25-21-8-5-19(6-9-21)17-27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-18H2,1-3H3,(H,25,28)/p+2
InChIKeyZCHIJYGWCPPWOA-UHFFFAOYSA-P
XLogP0.16
TPSA65.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8798352
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8694839
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2495726
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494492
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656813
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798670
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2657509

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (CID 8694855) is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)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)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The InChIKey is ZCHIJYGWCPPWOA-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H33N3O4/c1-4-31-22-10-7-20(15-23(22)29-3)16-26(2)18-24(28)25-21-8-5-19(6-9-21)17-27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-18H2,1-3H3,(H,25,28)/p+2.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium has a molecular weight of 429.56 g/mol, XLogP of 0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8694855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).