3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide

C14H20N2O3 — CID 61112787

IUPAC3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
SMILESNc1ccc(OCCC(=O)NCC2CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-1-3-13(4-2-12)19-8-6-14(17)16-9-11-5-7-18-10-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyUBVSSIRFANYXGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds6

About 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide

3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 61112787) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID61112787
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
SMILESNc1ccc(OCCC(=O)NCC2CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-1-3-13(4-2-12)19-8-6-14(17)16-9-11-5-7-18-10-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyUBVSSIRFANYXGM-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide (CID 61112787) is 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide is Nc1ccc(OCCC(=O)NCC2CCOC2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is UBVSSIRFANYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-1-3-13(4-2-12)19-8-6-14(17)16-9-11-5-7-18-10-11/h1-4,11H,5-10,15H2,(H,16,17).
What are the key properties of 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide?
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 61112787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).