ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate

C19H25NO4 — CID 135010720

IUPACethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1=C(CO)C(=O)N(Cc2ccccc2)CC1
InChIInChI=1S/C19H25NO4/c1-3-15(19(23)24-4-2)16-10-11-20(18(22)17(16)13-21)12-14-8-6-5-7-9-14/h5-9,15,21H,3-4,10-13H2,1-2H3
InChIKeyINEBUOQSOLOOPQ-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.30
Rot. Bonds7

About ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate

ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate (PubChem CID 135010720) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate
PubChem CID135010720
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nameethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1=C(CO)C(=O)N(Cc2ccccc2)CC1
InChIInChI=1S/C19H25NO4/c1-3-15(19(23)24-4-2)16-10-11-20(18(22)17(16)13-21)12-14-8-6-5-7-9-14/h5-9,15,21H,3-4,10-13H2,1-2H3
InChIKeyINEBUOQSOLOOPQ-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate with MolForge

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Related Compounds

ethyl 1-benzyl-5-methyl-2,3-dihydropyrrole-4-carboxylate
CID 15193205
ethyl 1-benzyl-4-[2-(hydroxymethyl)pyrrol-1-yl]-5-oxo-2H-pyrrole-3-carboxylate
CID 59806923
1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 155936663
ethyl 2-[2-benzyl-5,8-dimethyl-6-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 129188035
ethyl 2-phenylbutanoate;sulfane
CID 174662373
diethyl 2-[(3S,4S)-1-benzyl-4-[(1S)-1-iodopropyl]-2-oxopyrrolidin-3-yl]propanedioate
CID 122367944
ethyl 1-benzyl-2-oxopiperidine-3-carboxylate;hydrochloride
CID 70449395
ethyl 3-amino-2-(1-benzyl-4,5-dihydroimidazol-2-yl)-3-oxopropanoate
CID 132776206
1-benzylpyrrolidin-2-one;diethyl cyclopropane-1,1-dicarboxylate;ethyl 1-[(Z)-(1-benzyl-2-oxopyrrolidin-3-ylidene)-hydroxymethyl]cyclopropane-1-carboxylate
CID 161056616
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
diethyl 1-benzyl-3-methylidenepyrrolidine-2,2-dicarboxylate
CID 102257993
ethyl 1-benzyl-3-(hydroxymethyl)-5-oxopyrrolidine-3-carboxylate
CID 83854421

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate?
The IUPAC name of ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate (CID 135010720) is ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate?
The canonical SMILES for ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate is CCOC(=O)C(CC)C1=C(CO)C(=O)N(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate?
The InChIKey is INEBUOQSOLOOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-15(19(23)24-4-2)16-10-11-20(18(22)17(16)13-21)12-14-8-6-5-7-9-14/h5-9,15,21H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate?
ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate has a molecular weight of 331.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate is sourced from PubChem (CID 135010720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).