3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide

C16H22N2O3 — CID 94596926

IUPAC3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)CCN1CCOC1=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13(14-6-4-3-5-7-14)12-17-15(19)8-9-18-10-11-21-16(18)20/h3-7,13H,2,8-12H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyHEYDXUBHXOAQSO-CYBMUJFWSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds7

About 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide

3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide (PubChem CID 94596926) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide
PubChem CID94596926
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)CCN1CCOC1=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13(14-6-4-3-5-7-14)12-17-15(19)8-9-18-10-11-21-16(18)20/h3-7,13H,2,8-12H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyHEYDXUBHXOAQSO-CYBMUJFWSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-phenylbutyl]propanamide
CID 27034238
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 99932037
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
(3R)-3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide
CID 42123602
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 110686871
3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377766

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide (CID 94596926) is 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide is CC[C@H](CNC(=O)CCN1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide?
The InChIKey is HEYDXUBHXOAQSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13(14-6-4-3-5-7-14)12-17-15(19)8-9-18-10-11-21-16(18)20/h3-7,13H,2,8-12H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide?
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide is sourced from PubChem (CID 94596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).