3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide

C16H24N2O2 — CID 61090557

IUPAC3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCOc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-18(14-5-3-2-4-6-14)16(19)11-12-20-15-9-7-13(17)8-10-15/h7-10,14H,2-6,11-12,17H2,1H3
InChIKeyJMUGPAYYGRIXPR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.83
Rot. Bonds5

About 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide

3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide (PubChem CID 61090557) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
PubChem CID61090557
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCOc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-18(14-5-3-2-4-6-14)16(19)11-12-20-15-9-7-13(17)8-10-15/h7-10,14H,2-6,11-12,17H2,1H3
InChIKeyJMUGPAYYGRIXPR-UHFFFAOYSA-N
XLogP2.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide
CID 61028307
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
CID 79119469
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide (CID 61090557) is 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCOc1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is JMUGPAYYGRIXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(14-5-3-2-4-6-14)16(19)11-12-20-15-9-7-13(17)8-10-15/h7-10,14H,2-6,11-12,17H2,1H3.
What are the key properties of 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide?
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 61090557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).