3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide

C16H24N2O3 — CID 83034462

IUPAC3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCOc2ccc(N)cc2)CCO1
InChIInChI=1S/C16H24N2O3/c1-16(2)11-13(7-10-21-16)18-15(19)8-9-20-14-5-3-12(17)4-6-14/h3-6,13H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyQWXPGTSMDLLXTI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.11
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide

3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide (PubChem CID 83034462) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
PubChem CID83034462
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCOc2ccc(N)cc2)CCO1
InChIInChI=1S/C16H24N2O3/c1-16(2)11-13(7-10-21-16)18-15(19)8-9-20-14-5-3-12(17)4-6-14/h3-6,13H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyQWXPGTSMDLLXTI-UHFFFAOYSA-N
XLogP2.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N-(2,2-dimethyloxan-4-yl)-3-piperidin-4-yloxypropanamide
CID 83033442
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114630658
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574807
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide (CID 83034462) is 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide is CC1(C)CC(NC(=O)CCOc2ccc(N)cc2)CCO1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide?
The InChIKey is QWXPGTSMDLLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)11-13(7-10-21-16)18-15(19)8-9-20-14-5-3-12(17)4-6-14/h3-6,13H,7-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide?
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide is sourced from PubChem (CID 83034462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).