(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium

C20H26ClN2O3+ — CID 9136480

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(CCNC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H25ClN2O3/c1-23(13-16-12-17(21)6-9-19(16)26-3)14-20(24)22-11-10-15-4-7-18(25-2)8-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)/p+1
InChIKeyVBAPEMHPCQWASG-UHFFFAOYSA-O
MW377.89 g/mol
LogP1.73
Rot. Bonds9

About (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium (PubChem CID 9136480) has the molecular formula C20H26ClN2O3+ and a molecular weight of 377.89 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
PubChem CID9136480
Molecular FormulaC20H26ClN2O3+
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(CCNC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H25ClN2O3/c1-23(13-16-12-17(21)6-9-19(16)26-3)14-20(24)22-11-10-15-4-7-18(25-2)8-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)/p+1
InChIKeyVBAPEMHPCQWASG-UHFFFAOYSA-O
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136574
(5-chloro-2-methoxyphenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9136576
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
CID 9137166
(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 9137393
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
2-(2-acetyl-4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7167777
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium (CID 9136480) is (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium is COc1ccc(CCNC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium?
The InChIKey is VBAPEMHPCQWASG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25ClN2O3/c1-23(13-16-12-17(21)6-9-19(16)26-3)14-20(24)22-11-10-15-4-7-18(25-2)8-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium has a molecular weight of 377.89 g/mol, XLogP of 1.73, 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-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9136480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).