3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide

C12H16N2O2 — CID 115341599

IUPAC3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
SMILESNc1ccc(CCC(=O)NC2COC2)cc1
InChIInChI=1S/C12H16N2O2/c13-10-4-1-9(2-5-10)3-6-12(15)14-11-7-16-8-11/h1-2,4-5,11H,3,6-8,13H2,(H,14,15)
InChIKeyCBDPXEOJPLULAY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.72
Rot. Bonds4

About 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide

3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide (PubChem CID 115341599) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
PubChem CID115341599
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
SMILESNc1ccc(CCC(=O)NC2COC2)cc1
InChIInChI=1S/C12H16N2O2/c13-10-4-1-9(2-5-10)3-6-12(15)14-11-7-16-8-11/h1-2,4-5,11H,3,6-8,13H2,(H,14,15)
InChIKeyCBDPXEOJPLULAY-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide
CID 113290579
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
CID 83013202
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide (CID 115341599) is 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide is Nc1ccc(CCC(=O)NC2COC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide?
The InChIKey is CBDPXEOJPLULAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-4-1-9(2-5-10)3-6-12(15)14-11-7-16-8-11/h1-2,4-5,11H,3,6-8,13H2,(H,14,15).
What are the key properties of 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide?
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide has a molecular weight of 220.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide is sourced from PubChem (CID 115341599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).