(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium

C21H27ClN3O4+ — CID 9137199

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H26ClN3O4/c1-24(12-15-10-16(22)8-9-19(15)29-4)14-21(27)25(2)13-20(26)23-17-6-5-7-18(11-17)28-3/h5-11H,12-14H2,1-4H3,(H,23,26)/p+1
InChIKeyYVMIAZHNZZGHMC-UHFFFAOYSA-O
MW420.92 g/mol
LogP1.47
Rot. Bonds9

About (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9137199) has the molecular formula C21H27ClN3O4+ and a molecular weight of 420.92 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
PubChem CID9137199
Molecular FormulaC21H27ClN3O4+
Molecular Weight420.92 g/mol
Exact Mass420.17
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H26ClN3O4/c1-24(12-15-10-16(22)8-9-19(15)29-4)14-21(27)25(2)13-20(26)23-17-6-5-7-18(11-17)28-3/h5-11H,12-14H2,1-4H3,(H,23,26)/p+1
InChIKeyYVMIAZHNZZGHMC-UHFFFAOYSA-O
XLogP1.47
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788847
[2-(diethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 8692876
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8511461
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 8683436
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium (CID 9137199) is (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium is COc1cccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is YVMIAZHNZZGHMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26ClN3O4/c1-24(12-15-10-16(22)8-9-19(15)29-4)14-21(27)25(2)13-20(26)23-17-6-5-7-18(11-17)28-3/h5-11H,12-14H2,1-4H3,(H,23,26)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 420.92 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).