N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide

C14H20N2O3 — CID 54979655

IUPACN-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
SMILESCC(OC1CCOCC1)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-10(19-11-6-8-18-9-7-11)14(17)16-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,16,17)
InChIKeyRLZCIELBDBAGKG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.79
Rot. Bonds4

About N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide

N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide (PubChem CID 54979655) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
PubChem CID54979655
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
SMILESCC(OC1CCOCC1)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-10(19-11-6-8-18-9-7-11)14(17)16-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,16,17)
InChIKeyRLZCIELBDBAGKG-UHFFFAOYSA-N
XLogP1.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide (CID 54979655) is N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide is CC(OC1CCOCC1)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide?
The InChIKey is RLZCIELBDBAGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(19-11-6-8-18-9-7-11)14(17)16-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide?
N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 54979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).