(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium

C19H24N3O4+ — CID 8908159

IUPAC(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C19H23N3O4/c1-4-14-5-7-15(8-6-14)12-21(2)13-19(23)20-17-10-9-16(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyZXJBWKUYHUCSNM-UHFFFAOYSA-O
MW358.42 g/mol
LogP1.82
Rot. Bonds8

About (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium

(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium (PubChem CID 8908159) has the molecular formula C19H24N3O4+ and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
PubChem CID8908159
Molecular FormulaC19H24N3O4+
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C19H23N3O4/c1-4-14-5-7-15(8-6-14)12-21(2)13-19(23)20-17-10-9-16(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyZXJBWKUYHUCSNM-UHFFFAOYSA-O
XLogP1.82
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778305
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798670
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9433030
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
(4-ethylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7830803
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024965
(2,4-dimethoxyphenyl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 9101647
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794772
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium (CID 8908159) is (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium is CCc1ccc(C[NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is ZXJBWKUYHUCSNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O4/c1-4-14-5-7-15(8-6-14)12-21(2)13-19(23)20-17-10-9-16(22(24)25)11-18(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,20,23)/p+1.
What are the key properties of (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium?
(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 358.42 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8908159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).