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

C17H25N3O3 — CID 112808342

IUPAC2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H25N3O3/c1-11-4-6-14(7-5-11)19-17(21)10-18-15-9-16(20(22)23)13(3)8-12(15)2/h8-9,11,14,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyYKADNSZCHQWVHL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.32
Rot. Bonds5

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

2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide (PubChem CID 112808342) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
PubChem CID112808342
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H25N3O3/c1-11-4-6-14(7-5-11)19-17(21)10-18-15-9-16(20(22)23)13(3)8-12(15)2/h8-9,11,14,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyYKADNSZCHQWVHL-UHFFFAOYSA-N
XLogP3.32
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.32
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

N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112768188
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbenzoic acid
CID 63212554
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112770379
N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
CID 80792309

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide (CID 112808342) is 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is YKADNSZCHQWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-4-6-14(7-5-11)19-17(21)10-18-15-9-16(20(22)23)13(3)8-12(15)2/h8-9,11,14,18H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide?
2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 112808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).