2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

C16H19N3O2 — CID 82733539

IUPAC2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H19N3O2/c1-2-12-4-3-9-18-15(12)10-19-16(20)11-21-14-7-5-13(17)6-8-14/h3-9H,2,10-11,17H2,1H3,(H,19,20)
InChIKeyKWVRYWWMLZGBAO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (PubChem CID 82733539) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
PubChem CID82733539
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H19N3O2/c1-2-12-4-3-9-18-15(12)10-19-16(20)11-21-14-7-5-13(17)6-8-14/h3-9H,2,10-11,17H2,1H3,(H,19,20)
InChIKeyKWVRYWWMLZGBAO-UHFFFAOYSA-N
XLogP1.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
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

2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 115988923
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
CID 61401671
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 38537714
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (CID 82733539) is 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is CCc1cccnc1CNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is KWVRYWWMLZGBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-12-4-3-9-18-15(12)10-19-16(20)11-21-14-7-5-13(17)6-8-14/h3-9H,2,10-11,17H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 82733539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).