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

C19H23N4O5+ — CID 2114294

IUPAC[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O5/c1-13-7-8-15(10-17(13)23(26)27)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)/p+1
InChIKeyBLHZUUMWUAMCFH-UHFFFAOYSA-O
MW387.42 g/mol
LogP1.00
Rot. Bonds8

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

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium (PubChem CID 2114294) has the molecular formula C19H23N4O5+ and a molecular weight of 387.42 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium
PubChem CID2114294
Molecular FormulaC19H23N4O5+
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O5/c1-13-7-8-15(10-17(13)23(26)27)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)/p+1
InChIKeyBLHZUUMWUAMCFH-UHFFFAOYSA-O
XLogP1.00
TPSA115.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]azanium
CID 8556603
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
1-(3-methoxyphenyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea
CID 9256249
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222949
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531055
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium (CID 2114294) is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium is COc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium?
The InChIKey is BLHZUUMWUAMCFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O5/c1-13-7-8-15(10-17(13)23(26)27)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium?
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium has a molecular weight of 387.42 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2114294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).