2-amino-N-(oxan-3-yl)-3-phenylpropanamide

C14H20N2O2 — CID 63361697

IUPAC2-amino-N-(oxan-3-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CCCOC1
InChIInChI=1S/C14H20N2O2/c15-13(9-11-5-2-1-3-6-11)14(17)16-12-7-4-8-18-10-12/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)
InChIKeyJGQCTZFVZOSWGQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-N-(oxan-3-yl)-3-phenylpropanamide

2-amino-N-(oxan-3-yl)-3-phenylpropanamide (PubChem CID 63361697) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(oxan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(oxan-3-yl)-3-phenylpropanamide
PubChem CID63361697
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(oxan-3-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CCCOC1
InChIInChI=1S/C14H20N2O2/c15-13(9-11-5-2-1-3-6-11)14(17)16-12-7-4-8-18-10-12/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)
InChIKeyJGQCTZFVZOSWGQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(oxan-3-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-benzyl-N-(oxan-3-yl)-3-sulfanylidenepropanamide
CID 63361577
2-amino-N-(oxan-3-yl)butanamide
CID 63361393
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
CID 97219103
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(oxan-3-yl)-3-phenylpropanamide (CID 63361697) is 2-amino-N-(oxan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(oxan-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(oxan-3-yl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NC1CCCOC1.
What is the InChIKey of 2-amino-N-(oxan-3-yl)-3-phenylpropanamide?
The InChIKey is JGQCTZFVZOSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(9-11-5-2-1-3-6-11)14(17)16-12-7-4-8-18-10-12/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17).
What are the key properties of 2-amino-N-(oxan-3-yl)-3-phenylpropanamide?
2-amino-N-(oxan-3-yl)-3-phenylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 63361697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).