N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide

C15H20N2O4 — CID 18077039

IUPACN-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
SMILESCC1CCCCC1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-11-5-2-3-8-14(11)16-15(18)10-21-13-7-4-6-12(9-13)17(19)20/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,16,18)
InChIKeyDTFADNIQGLHSCF-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.67
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide

N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 18077039) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
PubChem CID18077039
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
SMILESCC1CCCCC1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-11-5-2-3-8-14(11)16-15(18)10-21-13-7-4-6-12(9-13)17(19)20/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,16,18)
InChIKeyDTFADNIQGLHSCF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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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Related Compounds

N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
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-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
CID 114549924
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-nitrobenzoate
CID 7775213
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide (CID 18077039) is N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide is CC1CCCCC1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is DTFADNIQGLHSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-5-2-3-8-14(11)16-15(18)10-21-13-7-4-6-12(9-13)17(19)20/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,16,18).
What are the key properties of N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide?
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 18077039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).