methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate

C20H24N2O5 — CID 55882942

IUPACmethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
SMILESCCOc1cc(C(=O)N(C)CCC(=O)OC)ccc1OCc1ccncc1
InChIInChI=1S/C20H24N2O5/c1-4-26-18-13-16(20(24)22(2)12-9-19(23)25-3)5-6-17(18)27-14-15-7-10-21-11-8-15/h5-8,10-11,13H,4,9,12,14H2,1-3H3
InChIKeyXYGAHYPBVBLRFD-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.69
Rot. Bonds9

About methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate

methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate (PubChem CID 55882942) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
PubChem CID55882942
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
SMILESCCOc1cc(C(=O)N(C)CCC(=O)OC)ccc1OCc1ccncc1
InChIInChI=1S/C20H24N2O5/c1-4-26-18-13-16(20(24)22(2)12-9-19(23)25-3)5-6-17(18)27-14-15-7-10-21-11-8-15/h5-8,10-11,13H,4,9,12,14H2,1-3H3
InChIKeyXYGAHYPBVBLRFD-UHFFFAOYSA-N
XLogP2.69
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724
3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 46597652
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 39125492
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-[2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetyl]phenoxy]acetate
CID 70111165
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate (CID 55882942) is methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate is CCOc1cc(C(=O)N(C)CCC(=O)OC)ccc1OCc1ccncc1.
What is the InChIKey of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate?
The InChIKey is XYGAHYPBVBLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-26-18-13-16(20(24)22(2)12-9-19(23)25-3)5-6-17(18)27-14-15-7-10-21-11-8-15/h5-8,10-11,13H,4,9,12,14H2,1-3H3.
What are the key properties of methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate?
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate has a molecular weight of 372.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate is sourced from PubChem (CID 55882942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).