(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide

C16H23NO2 — CID 99703456

IUPAC(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C16H23NO2/c1-13(15-8-11-19-12-9-15)16(18)17-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyJEUXBBBPKCHUEV-ZDUSSCGKSA-N
MW261.36 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide

(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide (PubChem CID 99703456) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
PubChem CID99703456
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C16H23NO2/c1-13(15-8-11-19-12-9-15)16(18)17-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyJEUXBBBPKCHUEV-ZDUSSCGKSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide (CID 99703456) is (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide is C[C@H](C(=O)NCCc1ccccc1)C1CCOCC1.
What is the InChIKey of (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is JEUXBBBPKCHUEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(15-8-11-19-12-9-15)16(18)17-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
(2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 261.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 99703456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).