2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide

C14H20N2O3 — CID 61138712

IUPAC2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-3-5-13(6-4-12)19-10-14(17)16-8-11-2-1-7-18-9-11/h3-6,11H,1-2,7-10,15H2,(H,16,17)
InChIKeyOINDIFBUQHTHQK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide

2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide (PubChem CID 61138712) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
PubChem CID61138712
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-3-5-13(6-4-12)19-10-14(17)16-8-11-2-1-7-18-9-11/h3-6,11H,1-2,7-10,15H2,(H,16,17)
InChIKeyOINDIFBUQHTHQK-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.19
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-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534220
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide (CID 61138712) is 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide is Nc1ccc(OCC(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is OINDIFBUQHTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-3-5-13(6-4-12)19-10-14(17)16-8-11-2-1-7-18-9-11/h3-6,11H,1-2,7-10,15H2,(H,16,17).
What are the key properties of 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide?
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 61138712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).