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

C23H33N3O4+2 — CID 8845878

IUPAC(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C23H31N3O4/c1-25(16-19-6-9-21(28-2)14-22(19)29-3)17-23(27)24-20-7-4-18(5-8-20)15-26-10-12-30-13-11-26/h4-9,14H,10-13,15-17H2,1-3H3,(H,24,27)/p+2
InChIKeyDWBLAMSSLJSENF-UHFFFAOYSA-P
MW415.53 g/mol
LogP-0.23
Rot. Bonds9

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

(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (PubChem CID 8845878) has the molecular formula C23H33N3O4+2 and a molecular weight of 415.53 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
PubChem CID8845878
Molecular FormulaC23H33N3O4+2
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C23H31N3O4/c1-25(16-19-6-9-21(28-2)14-22(19)29-3)17-23(27)24-20-7-4-18(5-8-20)15-26-10-12-30-13-11-26/h4-9,14H,10-13,15-17H2,1-3H3,(H,24,27)/p+2
InChIKeyDWBLAMSSLJSENF-UHFFFAOYSA-P
XLogP-0.23
TPSA65.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium with MolForge

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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-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101079
2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 9338299
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
(3-bromo-4-methoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818401
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 8845555

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (CID 8845878) is (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is COc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The InChIKey is DWBLAMSSLJSENF-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O4/c1-25(16-19-6-9-21(28-2)14-22(19)29-3)17-23(27)24-20-7-4-18(5-8-20)15-26-10-12-30-13-11-26/h4-9,14H,10-13,15-17H2,1-3H3,(H,24,27)/p+2.
What are the key properties of (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium has a molecular weight of 415.53 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8845878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).