2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide

C18H26ClN3O3 — CID 56542477

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)13-6-4-5-7-15(13)20-11-17(23)21-16-9-8-12(22(24)25)10-14(16)19/h8-10,13,15,20H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyHXCNZYHXCPXXLK-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.38
Rot. Bonds5

About 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 56542477) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
PubChem CID56542477
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)13-6-4-5-7-15(13)20-11-17(23)21-16-9-8-12(22(24)25)10-14(16)19/h8-10,13,15,20H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyHXCNZYHXCPXXLK-UHFFFAOYSA-N
XLogP4.38
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.38
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-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 56542989
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-cyclopentyl-dimethylazanium
CID 8875505
N-(2-chloro-4-nitrophenyl)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetamide
CID 136546325
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840698
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide (CID 56542477) is 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide is CC(C)(C)C1CCCCC1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is HXCNZYHXCPXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-18(2,3)13-6-4-5-7-15(13)20-11-17(23)21-16-9-8-12(22(24)25)10-14(16)19/h8-10,13,15,20H,4-7,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 56542477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).