3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one

C22H31NO3 — CID 177182645

IUPAC3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one
SMILESCCCCCCCC=CCCC1OC(=O)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-13-16-21-23(18-22(25)26-21)20(24)17-19-14-11-10-12-15-19/h8-12,14-15,21H,2-7,13,16-18H2,1H3
InChIKeyQTMVTIBFONZTOK-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.64
Rot. Bonds11

About 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one

3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one (PubChem CID 177182645) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one
PubChem CID177182645
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one
SMILESCCCCCCCC=CCCC1OC(=O)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-13-16-21-23(18-22(25)26-21)20(24)17-19-14-11-10-12-15-19/h8-12,14-15,21H,2-7,13,16-18H2,1H3
InChIKeyQTMVTIBFONZTOK-UHFFFAOYSA-N
XLogP4.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-3-octanoyl-1,3-oxazolidin-5-one
CID 177182632
3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one
CID 177182685
4-non-3-enyloxetan-2-one
CID 78148877
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
octadec-9-enoic acid;phenylmethanol
CID 67916229
(9Z,12Z)-1-(1,3-dihydroisoindol-2-yl)octadeca-9,12-dien-1-one
CID 155622619
(Z)-octadec-9-enoic acid;phenylmethanamine
CID 56592825
N-[(E,2S)-1-hydroxyoctadec-4-en-2-yl]-2-phenylacetamide
CID 54753593
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one?
The IUPAC name of 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one (CID 177182645) is 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one is CCCCCCCC=CCCC1OC(=O)CN1C(=O)Cc1ccccc1.
What is the InChIKey of 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one?
The InChIKey is QTMVTIBFONZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-13-16-21-23(18-22(25)26-21)20(24)17-19-14-11-10-12-15-19/h8-12,14-15,21H,2-7,13,16-18H2,1H3.
What are the key properties of 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one?
3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one has a molecular weight of 357.49 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 177182645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).