N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide

C16H22N2O4 — CID 134004130

IUPACN-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
SMILESCC1CCCCC1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H22N2O4/c1-12-5-3-4-6-15(12)17(2)16(19)11-22-14-9-7-13(8-10-14)18(20)21/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyFTSPAZROMTWDJW-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide

N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 134004130) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
PubChem CID134004130
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
SMILESCC1CCCCC1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H22N2O4/c1-12-5-3-4-6-15(12)17(2)16(19)11-22-14-9-7-13(8-10-14)18(20)21/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyFTSPAZROMTWDJW-UHFFFAOYSA-N
XLogP3.01
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
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-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095
N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 27015551
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 18200592
N-methyl-N-(2-methylcyclohexyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 134020294
(2R,3R)-2-methyl-1-[2-(4-nitrophenoxy)acetyl]piperidine-3-carboxylic acid
CID 122114872
N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
CID 82177122

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide (CID 134004130) is N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide is CC1CCCCC1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is FTSPAZROMTWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12-5-3-4-6-15(12)17(2)16(19)11-22-14-9-7-13(8-10-14)18(20)21/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide?
N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 306.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 134004130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).