5-octyl-2-oxo-N-phenyloxolane-3-carboxamide

C19H27NO3 — CID 4523466

IUPAC5-octyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCCCCCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C19H27NO3/c1-2-3-4-5-6-10-13-16-14-17(19(22)23-16)18(21)20-15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,21)
InChIKeyTVVDLGOCXOWACB-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.31
Rot. Bonds9

About 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide

5-octyl-2-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 4523466) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name5-octyl-2-oxo-N-phenyloxolane-3-carboxamide
PubChem CID4523466
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name5-octyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCCCCCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C19H27NO3/c1-2-3-4-5-6-10-13-16-14-17(19(22)23-16)18(21)20-15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,21)
InChIKeyTVVDLGOCXOWACB-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-Oxaspiro(4.5)decane-4-carboxamide, 2-oxo-N-phenyl-
CID 208038
5-methyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3492260
2-oxo-N-phenyl-5-propyltetrahydro-3-furancarboxamide
CID 4523608
4-[(4-Fluorophenyl)amino]-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid
CID 4893195
3-Furancarboxamide, N-[2,6-bis(1-methylethyl)phe
CID 9930168
5,5-dimethyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3473493
5-ethyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3492256
5-isopropyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3492261
2-oxo-N-phenyloxolane-3-carboxamide
CID 5056456
Ethyl 2-cyclohexyl-3-[(3-methylphenyl)amino]-3-oxopropanoate
CID 2836833
Ethyl 2-benzyl-3-[4-(diethylamino)anilino]-3-oxopropanoate
CID 2836861
Ethyl 2-cyclohexyl-3-[(4-methylphenyl)amino]-3-oxopropanoate
CID 2884924

Frequently Asked Questions

What is the IUPAC name of 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide (CID 4523466) is 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide is CCCCCCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1.
What is the InChIKey of 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is TVVDLGOCXOWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-3-4-5-6-10-13-16-14-17(19(22)23-16)18(21)20-15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3,(H,20,21).
What are the key properties of 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide?
5-octyl-2-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 4523466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).