(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium

C22H31N2O2+ — CID 8789058

IUPAC(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H30N2O2/c1-17(2)20-10-8-18(9-11-20)12-13-23-22(25)16-24(3)15-19-6-5-7-21(14-19)26-4/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,23,25)/p+1
InChIKeySRKBDXZTXNDJAZ-UHFFFAOYSA-O
MW355.50 g/mol
LogP2.19
Rot. Bonds9

About (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium

(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium (PubChem CID 8789058) has the molecular formula C22H31N2O2+ and a molecular weight of 355.50 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
PubChem CID8789058
Molecular FormulaC22H31N2O2+
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H30N2O2/c1-17(2)20-10-8-18(9-11-20)12-13-23-22(25)16-24(3)15-19-6-5-7-21(14-19)26-4/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,23,25)/p+1
InChIKeySRKBDXZTXNDJAZ-UHFFFAOYSA-O
XLogP2.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028841
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium (CID 8789058) is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium is COc1cccc(C[NH+](C)CC(=O)NCCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium?
The InChIKey is SRKBDXZTXNDJAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)20-10-8-18(9-11-20)12-13-23-22(25)16-24(3)15-19-6-5-7-21(14-19)26-4/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,23,25)/p+1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium has a molecular weight of 355.50 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium is sourced from PubChem (CID 8789058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).