3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide

C16H19N3O2 — CID 61095622

IUPAC3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H19N3O2/c1-19(12-13-5-8-18-9-6-13)16(20)7-10-21-15-4-2-3-14(17)11-15/h2-6,8-9,11H,7,10,12,17H2,1H3
InChIKeyQQQPSVVCFIRSSU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds6

About 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide

3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 61095622) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID61095622
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H19N3O2/c1-19(12-13-5-8-18-9-6-13)16(20)7-10-21-15-4-2-3-14(17)11-15/h2-6,8-9,11H,7,10,12,17H2,1H3
InChIKeyQQQPSVVCFIRSSU-UHFFFAOYSA-N
XLogP2.09
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093633
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 61095622) is 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide is CN(Cc1ccncc1)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is QQQPSVVCFIRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(12-13-5-8-18-9-6-13)16(20)7-10-21-15-4-2-3-14(17)11-15/h2-6,8-9,11H,7,10,12,17H2,1H3.
What are the key properties of 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 61095622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).