ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate

C24H25NO4 — CID 11811237

IUPACethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(COCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H25NO4/c1-2-29-23(26)15-22-21(18-28-17-20-11-7-4-8-12-20)13-14-25(24(22)27)16-19-9-5-3-6-10-19/h3-14H,2,15-18H2,1H3
InChIKeyWBAJSWAUFRMCOQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.72
Rot. Bonds9

About ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate

ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate (PubChem CID 11811237) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate
PubChem CID11811237
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(COCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H25NO4/c1-2-29-23(26)15-22-21(18-28-17-20-11-7-4-8-12-20)13-14-25(24(22)27)16-19-9-5-3-6-10-19/h3-14H,2,15-18H2,1H3
InChIKeyWBAJSWAUFRMCOQ-UHFFFAOYSA-N
XLogP3.72
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
CID 1121702
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
1-benzyl-4-(benzyloxy)-3-iodopyridin-2(1H)-one
CID 22050830
1-benzyl-4-(benzyloxy)-3-vinylpyridin-2(1H)-one
CID 22051118
Benzyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
CID 56598066
Benzyl (s)-4-(dibenzylamino)-3-fluorobutanoate
CID 168431981
benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10493956
N-ethenyl-N-(phenylmethyl)carbamic acid phenylmethyl ester
CID 14919277
ethyl (4E)-4-(4-ethoxycarbonyl-1-methyl-2-oxo-5-phenylpyrrol-3-ylidene)-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
CID 58657944

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate (CID 11811237) is ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1c(COCc2ccccc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate?
The InChIKey is WBAJSWAUFRMCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-29-23(26)15-22-21(18-28-17-20-11-7-4-8-12-20)13-14-25(24(22)27)16-19-9-5-3-6-10-19/h3-14H,2,15-18H2,1H3.
What are the key properties of ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate?
ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate has a molecular weight of 391.47 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 11811237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).