methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate

C25H27NO4 — CID 123317340

IUPACmethyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
SMILESCCc1cc(CCCc2cc(C(=O)OC)ccc2O)ccc1Cn1ccccc1=O
InChIInChI=1S/C25H27NO4/c1-3-19-15-18(10-11-22(19)17-26-14-5-4-9-24(26)28)7-6-8-20-16-21(25(29)30-2)12-13-23(20)27/h4-5,9-16,27H,3,6-8,17H2,1-2H3
InChIKeyMFEJLAUEUHVKLI-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.13
Rot. Bonds8

About methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate

methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate (PubChem CID 123317340) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
PubChem CID123317340
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namemethyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
SMILESCCc1cc(CCCc2cc(C(=O)OC)ccc2O)ccc1Cn1ccccc1=O
InChIInChI=1S/C25H27NO4/c1-3-19-15-18(10-11-22(19)17-26-14-5-4-9-24(26)28)7-6-8-20-16-21(25(29)30-2)12-13-23(20)27/h4-5,9-16,27H,3,6-8,17H2,1-2H3
InChIKeyMFEJLAUEUHVKLI-UHFFFAOYSA-N
XLogP4.13
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate with MolForge

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Related Compounds

methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one
CID 123967008
methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
CID 67764675
methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118213206
methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate
CID 118212630
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
CID 141390966
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate?
The IUPAC name of methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate (CID 123317340) is methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate?
The canonical SMILES for methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate is CCc1cc(CCCc2cc(C(=O)OC)ccc2O)ccc1Cn1ccccc1=O.
What is the InChIKey of methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate?
The InChIKey is MFEJLAUEUHVKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-19-15-18(10-11-22(19)17-26-14-5-4-9-24(26)28)7-6-8-20-16-21(25(29)30-2)12-13-23(20)27/h4-5,9-16,27H,3,6-8,17H2,1-2H3.
What are the key properties of methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate?
methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate has a molecular weight of 405.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate is sourced from PubChem (CID 123317340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).