2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide

C16H24N2O2 — CID 79855622

IUPAC2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-16(2)9-4-3-8-14(16)18-15(19)11-20-13-7-5-6-12(17)10-13/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyKOXLJBVMMMUNFJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide

2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide (PubChem CID 79855622) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide
PubChem CID79855622
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-16(2)9-4-3-8-14(16)18-15(19)11-20-13-7-5-6-12(17)10-13/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyKOXLJBVMMMUNFJ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174861
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
N-(2,2-dimethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605525
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide (CID 79855622) is 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide is CC1(C)CCCCC1NC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide?
The InChIKey is KOXLJBVMMMUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)9-4-3-8-14(16)18-15(19)11-20-13-7-5-6-12(17)10-13/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide?
2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 79855622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).