3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide

C16H22N2O3 — CID 890273

IUPAC3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)CCC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-12-14(8-5-9-15(12)18(20)21)17-16(19)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,19)
InChIKeyICZHOXPKWDXHIY-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.20
Rot. Bonds5

About 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide

3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 890273) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID890273
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)CCC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-12-14(8-5-9-15(12)18(20)21)17-16(19)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,19)
InChIKeyICZHOXPKWDXHIY-UHFFFAOYSA-N
XLogP4.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 9395316
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide
CID 57284911
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 95331656
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide (CID 890273) is 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)CCC2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is ICZHOXPKWDXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-14(8-5-9-15(12)18(20)21)17-16(19)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide?
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 890273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).