N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide

C18H27N3O3 — CID 112768188

IUPACN-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c1-13-10-14(2)17(21(23)24)11-16(13)19-12-18(22)20-15-8-6-4-3-5-7-9-15/h10-11,15,19H,3-9,12H2,1-2H3,(H,20,22)
InChIKeyQGTMXTJQXULMEZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.85
Rot. Bonds5

About N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide

N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide (PubChem CID 112768188) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
PubChem CID112768188
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27N3O3/c1-13-10-14(2)17(21(23)24)11-16(13)19-12-18(22)20-15-8-6-4-3-5-7-9-15/h10-11,15,19H,3-9,12H2,1-2H3,(H,20,22)
InChIKeyQGTMXTJQXULMEZ-UHFFFAOYSA-N
XLogP3.85
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.85
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'}

Analyze N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)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-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
CID 112808342
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
CID 9209200
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112770379
3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide?
The IUPAC name of N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide (CID 112768188) is N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide?
The canonical SMILES for N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide?
The InChIKey is QGTMXTJQXULMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-10-14(2)17(21(23)24)11-16(13)19-12-18(22)20-15-8-6-4-3-5-7-9-15/h10-11,15,19H,3-9,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide?
N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide is sourced from PubChem (CID 112768188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).