2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide

C24H26N4O3 — CID 9106654

IUPAC2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-3-17-9-8-10-18(4-2)24(17)27-23(29)16-25-22-15-20(28(30)31)13-14-21(22)26-19-11-6-5-7-12-19/h5-15,25-26H,3-4,16H2,1-2H3,(H,27,29)
InChIKeyRZSNFLAROPHPPS-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.51
Rot. Bonds9

About 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide

2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide (PubChem CID 9106654) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide
PubChem CID9106654
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-3-17-9-8-10-18(4-2)24(17)27-23(29)16-25-22-15-20(28(30)31)13-14-21(22)26-19-11-6-5-7-12-19/h5-15,25-26H,3-4,16H2,1-2H3,(H,27,29)
InChIKeyRZSNFLAROPHPPS-UHFFFAOYSA-N
XLogP5.51
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.51
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-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide 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-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 9106651
2-(2-anilino-5-nitroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 17407591
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
4-nitro-N-phenyl-2-propylaniline
CID 20559831
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
1-(2-chloro-4-nitrophenyl)-3-(2,6-diethylphenyl)thiourea
CID 23849924
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide (CID 9106654) is 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is RZSNFLAROPHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-17-9-8-10-18(4-2)24(17)27-23(29)16-25-22-15-20(28(30)31)13-14-21(22)26-19-11-6-5-7-12-19/h5-15,25-26H,3-4,16H2,1-2H3,(H,27,29).
What are the key properties of 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide?
2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 9106654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).