(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

C22H31N2O3+ — CID 8550577

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCOc1cc(C)c(C[NH+](C)CC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-15(2)18-9-7-8-10-19(18)23-22(25)14-24(4)13-17-12-21(27-6)20(26-5)11-16(17)3/h7-12,15H,13-14H2,1-6H3,(H,23,25)/p+1
InChIKeyRIOKJXCFYOPYQB-UHFFFAOYSA-O
MW371.50 g/mol
LogP2.79
Rot. Bonds8

About (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (PubChem CID 8550577) has the molecular formula C22H31N2O3+ and a molecular weight of 371.50 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
PubChem CID8550577
Molecular FormulaC22H31N2O3+
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCOc1cc(C)c(C[NH+](C)CC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-15(2)18-9-7-8-10-19(18)23-22(25)14-24(4)13-17-12-21(27-6)20(26-5)11-16(17)3/h7-12,15H,13-14H2,1-6H3,(H,23,25)/p+1
InChIKeyRIOKJXCFYOPYQB-UHFFFAOYSA-O
XLogP2.79
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 8550925
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
(4,5-dimethoxy-2-methylphenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8551992
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8680598
[2-(3-chloroanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550222
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8552175
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8551397
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9251263
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 109007861

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (CID 8550577) is (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is COc1cc(C)c(C[NH+](C)CC(=O)Nc2ccccc2C(C)C)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The InChIKey is RIOKJXCFYOPYQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H30N2O3/c1-15(2)18-9-7-8-10-19(18)23-22(25)14-24(4)13-17-12-21(27-6)20(26-5)11-16(17)3/h7-12,15H,13-14H2,1-6H3,(H,23,25)/p+1.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium has a molecular weight of 371.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 8550577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).