2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide

C15H20N2O4 — CID 2911044

IUPAC2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-21-12-7-8-13(14(10-12)17(19)20)16-15(18)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,18)
InChIKeyFLEURLMBRBVTBN-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.51
Rot. Bonds5

About 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide

2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2911044) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2911044
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-21-12-7-8-13(14(10-12)17(19)20)16-15(18)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,18)
InChIKeyFLEURLMBRBVTBN-UHFFFAOYSA-N
XLogP3.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2911044) is 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is FLEURLMBRBVTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-7-8-13(14(10-12)17(19)20)16-15(18)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,18).
What are the key properties of 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide?
2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2911044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).