(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium

C20H26ClN2O3+ — CID 9137166

IUPAC(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25ClN2O3/c1-15-5-4-6-18(11-15)26-10-9-22-20(24)14-23(2)13-16-12-17(21)7-8-19(16)25-3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,24)/p+1
InChIKeyVPKASQBUSZUWGH-UHFFFAOYSA-O
MW377.89 g/mol
LogP1.87
Rot. Bonds9

About (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium

(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium (PubChem CID 9137166) has the molecular formula C20H26ClN2O3+ and a molecular weight of 377.89 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
PubChem CID9137166
Molecular FormulaC20H26ClN2O3+
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25ClN2O3/c1-15-5-4-6-18(11-15)26-10-9-22-20(24)14-23(2)13-16-12-17(21)7-8-19(16)25-3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,24)/p+1
InChIKeyVPKASQBUSZUWGH-UHFFFAOYSA-O
XLogP1.87
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136574
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(5-chloro-2-methoxyphenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9136576

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium (CID 9137166) is (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium is COc1ccc(Cl)cc1C[NH+](C)CC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium?
The InChIKey is VPKASQBUSZUWGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25ClN2O3/c1-15-5-4-6-18(11-15)26-10-9-22-20(24)14-23(2)13-16-12-17(21)7-8-19(16)25-3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,24)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium?
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium has a molecular weight of 377.89 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9137166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).