3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

C19H20N2O4 — CID 651329

IUPAC3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C19H20N2O4/c22-16-10-4-5-11-21(16)17(18(23)14-7-2-1-3-8-14)19(24)20-13-15-9-6-12-25-15/h1-5,7-8,10-11,15,17H,6,9,12-13H2,(H,20,24)
InChIKeyHYTXKPFLWXHYJJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.57
Rot. Bonds6

About 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (PubChem CID 651329) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
PubChem CID651329
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C19H20N2O4/c22-16-10-4-5-11-21(16)17(18(23)14-7-2-1-3-8-14)19(24)20-13-15-9-6-12-25-15/h1-5,7-8,10-11,15,17H,6,9,12-13H2,(H,20,24)
InChIKeyHYTXKPFLWXHYJJ-UHFFFAOYSA-N
XLogP1.57
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N-[3-(morpholin-4-yl)propyl]-3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanamide
CID 648870
3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 650258
N-(2-{[1-(cyclohexylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5027420
N-(2-Dimethylamino-ethyl)-3-oxo-2-(2-oxo-2H-pyridin-1-yl)-3-phenyl-propionamide
CID 6603566
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
Saroclide A
CID 139589956
N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755105
(2Z)-2-[(4-Methylphenyl)formamido]-N-[(oxolan-2-YL)methyl]-3-phenylprop-2-enamide
CID 12006063
N-(2-Diethylamino-ethyl)-3-oxo-2-(2-oxo-2H-pyridin-1-yl)-3-phenyl-propionamide
CID 648008
2-(5-Chloro-2-oxo-2H-pyridin-1-yl)-3-oxo-3-phenyl-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 651988

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The IUPAC name of 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (CID 651329) is 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1ccccc1=O.
What is the InChIKey of 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The InChIKey is HYTXKPFLWXHYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-10-4-5-11-21(16)17(18(23)14-7-2-1-3-8-14)19(24)20-13-15-9-6-12-25-15/h1-5,7-8,10-11,15,17H,6,9,12-13H2,(H,20,24).
What are the key properties of 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide has a molecular weight of 340.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 651329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).