(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide

C16H24N2O2 — CID 119290183

IUPAC(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCC1CCOCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-14-4-2-1-3-5-14)16(19)18-9-6-13-7-10-20-11-8-13/h1-5,13,15H,6-12,17H2,(H,18,19)/t15-/m0/s1
InChIKeyZGSMJXZNBXPEDE-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.49
Rot. Bonds6

About (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 119290183) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
PubChem CID119290183
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCC1CCOCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-14-4-2-1-3-5-14)16(19)18-9-6-13-7-10-20-11-8-13/h1-5,13,15H,6-12,17H2,(H,18,19)/t15-/m0/s1
InChIKeyZGSMJXZNBXPEDE-HNNXBMFYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(oxan-4-ylmethyl)propanamide
CID 104905171
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide (CID 119290183) is (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCC1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is ZGSMJXZNBXPEDE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15(12-14-4-2-1-3-5-14)16(19)18-9-6-13-7-10-20-11-8-13/h1-5,13,15H,6-12,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119290183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).