ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate

C19H24N2O4 — CID 42926568

IUPACethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(O)CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)16-6-8-18(9-7-16)25-14-17(22)13-21(2)12-15-5-4-10-20-11-15/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyWMBPPMWMGDPXLN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.13
Rot. Bonds9

About ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate

ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate (PubChem CID 42926568) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
PubChem CID42926568
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(O)CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)16-6-8-18(9-7-16)25-14-17(22)13-21(2)12-15-5-4-10-20-11-15/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyWMBPPMWMGDPXLN-UHFFFAOYSA-N
XLogP2.13
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
ethyl 3-[3-[(3-cyanophenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 86931329
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
ethyl 4-[2-hydroxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propoxy]benzoate
CID 24562430
ethyl 4-[[2-(4-chlorophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22778176
ethyl 4-[[2-(4-bromophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 23096487
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
ethyl 4-[(2S)-3-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-hydroxypropoxy]benzoate
CID 26007251

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate?
The IUPAC name of ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate (CID 42926568) is ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate?
The canonical SMILES for ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate is CCOC(=O)c1ccc(OCC(O)CN(C)Cc2cccnc2)cc1.
What is the InChIKey of ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate?
The InChIKey is WMBPPMWMGDPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-19(23)16-6-8-18(9-7-16)25-14-17(22)13-21(2)12-15-5-4-10-20-11-15/h4-11,17,22H,3,12-14H2,1-2H3.
What are the key properties of ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate?
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate is sourced from PubChem (CID 42926568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).