(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide

C20H22N2O3 — CID 25301838

IUPAC(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-15-7-9-16(10-8-15)13-18(22-11-3-2-6-19(22)23)20(24)21-14-17-5-4-12-25-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,21,24)/b18-13+/t17-/m1/s1
InChIKeyVZLMEFZAZMZBLA-CLEQQJOVSA-N
MW338.41 g/mol
LogP2.45
Rot. Bonds5

About (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide (PubChem CID 25301838) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide
PubChem CID25301838
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-15-7-9-16(10-8-15)13-18(22-11-3-2-6-19(22)23)20(24)21-14-17-5-4-12-25-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,21,24)/b18-13+/t17-/m1/s1
InChIKeyVZLMEFZAZMZBLA-CLEQQJOVSA-N
XLogP2.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide with MolForge

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Related Compounds

Cambridge id 6878150
CID 2917394
N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
CID 4314957
3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 651329
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
3-chloro-1-(2-phenylethyl)-4-[(tetrahydro-2-furanylmethyl)amino]-1H-pyrrole-2,5-dione
CID 2939610
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
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
4-ME-N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755111
N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 16658829

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide (CID 25301838) is (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide is Cc1ccc(/C=C(\C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The InChIKey is VZLMEFZAZMZBLA-CLEQQJOVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-7-9-16(10-8-15)13-18(22-11-3-2-6-19(22)23)20(24)21-14-17-5-4-12-25-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,21,24)/b18-13+/t17-/m1/s1.
What are the key properties of (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)prop-2-enamide is sourced from PubChem (CID 25301838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).