ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate

C22H21NO4 — CID 10338739

IUPACethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
SMILESCCOC(=O)c1cccc(-n2ccc(=O)c(OCc3ccccc3)c2C)c1
InChIInChI=1S/C22H21NO4/c1-3-26-22(25)18-10-7-11-19(14-18)23-13-12-20(24)21(16(23)2)27-15-17-8-5-4-6-9-17/h4-14H,3,15H2,1-2H3
InChIKeyOHVBTJITLPZORQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.90
Rot. Bonds6

About ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate

ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate (PubChem CID 10338739) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
PubChem CID10338739
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Nameethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
SMILESCCOC(=O)c1cccc(-n2ccc(=O)c(OCc3ccccc3)c2C)c1
InChIInChI=1S/C22H21NO4/c1-3-26-22(25)18-10-7-11-19(14-18)23-13-12-20(24)21(16(23)2)27-15-17-8-5-4-6-9-17/h4-14H,3,15H2,1-2H3
InChIKeyOHVBTJITLPZORQ-UHFFFAOYSA-N
XLogP3.90
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one
CID 164579237
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
ethyl 3-[2-[[5-bromo-2-[(4-phenylphenyl)methoxy]phenyl]methyl]pyrrol-1-yl]benzoate
CID 142834898
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate?
The IUPAC name of ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate (CID 10338739) is ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate.
What is the SMILES notation for ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate?
The canonical SMILES for ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate is CCOC(=O)c1cccc(-n2ccc(=O)c(OCc3ccccc3)c2C)c1.
What is the InChIKey of ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate?
The InChIKey is OHVBTJITLPZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-26-22(25)18-10-7-11-19(14-18)23-13-12-20(24)21(16(23)2)27-15-17-8-5-4-6-9-17/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate?
ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate has a molecular weight of 363.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate is sourced from PubChem (CID 10338739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).