N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C14H19N3O4 — CID 4578815

IUPACN-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC1CCCCC1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-10-5-2-3-6-11(10)16-13(18)9-21-12-7-4-8-15-14(12)17(19)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyYJKAMSRZHULBFE-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.06
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4578815) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4578815
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC1CCCCC1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-10-5-2-3-6-11(10)16-13(18)9-21-12-7-4-8-15-14(12)17(19)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyYJKAMSRZHULBFE-UHFFFAOYSA-N
XLogP2.06
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
CID 7478838
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347081
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 4578815) is N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CC1CCCCC1NC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is YJKAMSRZHULBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-5-2-3-6-11(10)16-13(18)9-21-12-7-4-8-15-14(12)17(19)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 293.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4578815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).