2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide

C15H17N3O2 — CID 43711075

IUPAC2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
SMILESCC(Nc1ccc(OCC(N)=O)cc1)c1ccccn1
InChIInChI=1S/C15H17N3O2/c1-11(14-4-2-3-9-17-14)18-12-5-7-13(8-6-12)20-10-15(16)19/h2-9,11,18H,10H2,1H3,(H2,16,19)
InChIKeyXCZUUXLWKZQATJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide

2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide (PubChem CID 43711075) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
PubChem CID43711075
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
SMILESCC(Nc1ccc(OCC(N)=O)cc1)c1ccccn1
InChIInChI=1S/C15H17N3O2/c1-11(14-4-2-3-9-17-14)18-12-5-7-13(8-6-12)20-10-15(16)19/h2-9,11,18H,10H2,1H3,(H2,16,19)
InChIKeyXCZUUXLWKZQATJ-UHFFFAOYSA-N
XLogP2.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
CID 112758991
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide?
The IUPAC name of 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide (CID 43711075) is 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide?
The canonical SMILES for 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide is CC(Nc1ccc(OCC(N)=O)cc1)c1ccccn1.
What is the InChIKey of 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide?
The InChIKey is XCZUUXLWKZQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(14-4-2-3-9-17-14)18-12-5-7-13(8-6-12)20-10-15(16)19/h2-9,11,18H,10H2,1H3,(H2,16,19).
What are the key properties of 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide?
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide is sourced from PubChem (CID 43711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).