(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

C19H22N3O2+ — CID 9027418

IUPAC(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-3-22(13-16-6-4-5-15(11-16)12-20)14-19(23)21-17-7-9-18(24-2)10-8-17/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1
InChIKeyOZPSZCPZGZSVMP-UHFFFAOYSA-O
MW324.40 g/mol
LogP1.61
Rot. Bonds7

About (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9027418) has the molecular formula C19H22N3O2+ and a molecular weight of 324.40 g/mol. Its IUPAC name is (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9027418
Molecular FormulaC19H22N3O2+
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC Name(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-3-22(13-16-6-4-5-15(11-16)12-20)14-19(23)21-17-7-9-18(24-2)10-8-17/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1
InChIKeyOZPSZCPZGZSVMP-UHFFFAOYSA-O
XLogP1.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9349101
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (CID 9027418) is (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc(C#N)c1.
What is the InChIKey of (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is OZPSZCPZGZSVMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O2/c1-3-22(13-16-6-4-5-15(11-16)12-20)14-19(23)21-17-7-9-18(24-2)10-8-17/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1.
What are the key properties of (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 324.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9027418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).