(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

C22H29N2O3+ — CID 8810019

IUPAC(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-5-12-24(15-22(26)23-20-9-7-6-8-16(20)2)14-19-13-18(17(3)25)10-11-21(19)27-4/h6-11,13H,5,12,14-15H2,1-4H3,(H,23,26)/p+1
InChIKeyUWDOGHHVOAWXGU-UHFFFAOYSA-O
MW369.49 g/mol
LogP2.64
Rot. Bonds9

About (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (PubChem CID 8810019) has the molecular formula C22H29N2O3+ and a molecular weight of 369.49 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
PubChem CID8810019
Molecular FormulaC22H29N2O3+
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-5-12-24(15-22(26)23-20-9-7-6-8-16(20)2)14-19-13-18(17(3)25)10-11-21(19)27-4/h6-11,13H,5,12,14-15H2,1-4H3,(H,23,26)/p+1
InChIKeyUWDOGHHVOAWXGU-UHFFFAOYSA-O
XLogP2.64
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
2-(5-acetyl-2-methoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 17427408
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9168816
(7,8-dimethyl-2-oxochromen-4-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038230
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
2-(5-acetyl-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 30843617
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
CID 8810025
(5-acetyl-2-methoxyphenyl)methyl N'-(benzenesulfonyl)-N-(2-methylphenyl)carbamimidothioate
CID 134097257

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (CID 8810019) is (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1C)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The InChIKey is UWDOGHHVOAWXGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O3/c1-5-12-24(15-22(26)23-20-9-7-6-8-16(20)2)14-19-13-18(17(3)25)10-11-21(19)27-4/h6-11,13H,5,12,14-15H2,1-4H3,(H,23,26)/p+1.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium has a molecular weight of 369.49 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is sourced from PubChem (CID 8810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).