3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide

C18H23NO4 — CID 87959472

IUPAC3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
SMILESCCCCCC(=O)CC(=O)N[C@H]1CC(c2ccccc2)OC1=O
InChIInChI=1S/C18H23NO4/c1-2-3-5-10-14(20)11-17(21)19-15-12-16(23-18(15)22)13-8-6-4-7-9-13/h4,6-9,15-16H,2-3,5,10-12H2,1H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyPZEJBINBFGQVPY-VYRBHSGPSA-N
MW317.38 g/mol
LogP2.70
Rot. Bonds8

About 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide

3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide (PubChem CID 87959472) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
PubChem CID87959472
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
SMILESCCCCCC(=O)CC(=O)N[C@H]1CC(c2ccccc2)OC1=O
InChIInChI=1S/C18H23NO4/c1-2-3-5-10-14(20)11-17(21)19-15-12-16(23-18(15)22)13-8-6-4-7-9-13/h4,6-9,15-16H,2-3,5,10-12H2,1H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyPZEJBINBFGQVPY-VYRBHSGPSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
CID 72701819
3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
CID 102493433
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
3-oxo-N-(2-oxocyclopentyl)dodecanamide
CID 23396790
3-pentyl-6-phenyloxan-2-one
CID 21247942
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
CID 150213764
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
1,1'-biphenyl;heptadecan-9-one
CID 19613965
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide (CID 87959472) is 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide is CCCCCC(=O)CC(=O)N[C@H]1CC(c2ccccc2)OC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide?
The InChIKey is PZEJBINBFGQVPY-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H23NO4/c1-2-3-5-10-14(20)11-17(21)19-15-12-16(23-18(15)22)13-8-6-4-7-9-13/h4,6-9,15-16H,2-3,5,10-12H2,1H3,(H,19,21)/t15-,16?/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide?
3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide has a molecular weight of 317.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide is sourced from PubChem (CID 87959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).