(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium

C21H28ClN2O4+ — CID 9137393

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H27ClN2O4/c1-14(18-11-17(26-3)7-9-20(18)28-5)23-21(25)13-24(2)12-15-10-16(22)6-8-19(15)27-4/h6-11,14H,12-13H2,1-5H3,(H,23,25)/p+1/t14-/m1/s1
InChIKeyGMLAYMCCWZFWHV-CQSZACIVSA-O
MW407.92 g/mol
LogP2.26
Rot. Bonds9

About (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 9137393) has the molecular formula C21H28ClN2O4+ and a molecular weight of 407.92 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
PubChem CID9137393
Molecular FormulaC21H28ClN2O4+
Molecular Weight407.92 g/mol
Exact Mass407.17
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H27ClN2O4/c1-14(18-11-17(26-3)7-9-20(18)28-5)23-21(25)13-24(2)12-15-10-16(22)6-8-19(15)27-4/h6-11,14H,12-13H2,1-5H3,(H,23,25)/p+1/t14-/m1/s1
InChIKeyGMLAYMCCWZFWHV-CQSZACIVSA-O
XLogP2.26
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

(4-bromophenyl)methyl-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 8539990
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805702
(5-chloro-2-methoxyphenyl)methyl-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 9137366
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9137006
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786234
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium (CID 9137393) is (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium is COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+](C)Cc2cc(Cl)ccc2OC)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is GMLAYMCCWZFWHV-CQSZACIVSA-O. The full InChI is InChI=1S/C21H27ClN2O4/c1-14(18-11-17(26-3)7-9-20(18)28-5)23-21(25)13-24(2)12-15-10-16(22)6-8-19(15)27-4/h6-11,14H,12-13H2,1-5H3,(H,23,25)/p+1/t14-/m1/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 407.92 g/mol, XLogP of 2.26, 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-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9137393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).