N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide

C16H19N3O2 — CID 114289960

IUPACN-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
SMILESNc1cccc(OCCNC(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c17-14-4-1-5-15(11-14)21-10-9-19-16(20)7-6-13-3-2-8-18-12-13/h1-5,8,11-12H,6-7,9-10,17H2,(H,19,20)
InChIKeySOGNAGWZLGDTPG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide

N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide (PubChem CID 114289960) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
PubChem CID114289960
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
SMILESNc1cccc(OCCNC(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c17-14-4-1-5-15(11-14)21-10-9-19-16(20)7-6-13-3-2-8-18-12-13/h1-5,8,11-12H,6-7,9-10,17H2,(H,19,20)
InChIKeySOGNAGWZLGDTPG-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide (CID 114289960) is N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide is Nc1cccc(OCCNC(=O)CCc2cccnc2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SOGNAGWZLGDTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-14-4-1-5-15(11-14)21-10-9-19-16(20)7-6-13-3-2-8-18-12-13/h1-5,8,11-12H,6-7,9-10,17H2,(H,19,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide?
N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 114289960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).