4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide

C18H23N3O3 — CID 84560735

IUPAC4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
SMILESCCCOc1cccnc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H23N3O3/c1-2-12-23-16-9-5-11-20-18(16)21-17(22)10-6-13-24-15-8-4-3-7-14(15)19/h3-5,7-9,11H,2,6,10,12-13,19H2,1H3,(H,20,21,22)
InChIKeyLJKQNRGWEWSWOB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.25
Rot. Bonds9

About 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide

4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide (PubChem CID 84560735) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
PubChem CID84560735
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
SMILESCCCOc1cccnc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H23N3O3/c1-2-12-23-16-9-5-11-20-18(16)21-17(22)10-6-13-24-15-8-4-3-7-14(15)19/h3-5,7-9,11H,2,6,10,12-13,19H2,1H3,(H,20,21,22)
InChIKeyLJKQNRGWEWSWOB-UHFFFAOYSA-N
XLogP3.25
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(2-aminophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 61094715
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
CID 84551755
2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide
CID 84561073
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84560141

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide (CID 84560735) is 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide is CCCOc1cccnc1NC(=O)CCCOc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide?
The InChIKey is LJKQNRGWEWSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-12-23-16-9-5-11-20-18(16)21-17(22)10-6-13-24-15-8-4-3-7-14(15)19/h3-5,7-9,11H,2,6,10,12-13,19H2,1H3,(H,20,21,22).
What are the key properties of 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide?
4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide has a molecular weight of 329.40 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide is sourced from PubChem (CID 84560735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).