2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid

C20H23N3O7 — CID 24886588

IUPAC2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc(N(CC(=O)O)CC(=O)OCC)n1
InChIInChI=1S/C20H23N3O7/c1-3-28-18(26)12-23(11-17(24)25)20-21-15(14-8-6-5-7-9-14)10-16(22-20)30-13-19(27)29-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,24,25)
InChIKeyUFOGPSODDRUXHJ-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.54
Rot. Bonds11

About 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid

2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid (PubChem CID 24886588) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid
PubChem CID24886588
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Name2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc(N(CC(=O)O)CC(=O)OCC)n1
InChIInChI=1S/C20H23N3O7/c1-3-28-18(26)12-23(11-17(24)25)20-21-15(14-8-6-5-7-9-14)10-16(22-20)30-13-19(27)29-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,24,25)
InChIKeyUFOGPSODDRUXHJ-UHFFFAOYSA-N
XLogP1.54
TPSA128.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

disodium;2-[[4-(carboxymethoxy)-6-phenylpyrimidin-2-yl]-(carboxymethyl)amino]acetic acid
CID 24886589
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
ethyl 2-[2-[6-(2-chloroethoxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxyacetate
CID 91990722
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196
ethyl 2-[4-[6-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]-2-pyridinyl]phenoxy]acetate;hydrochloride
CID 70301170
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
ethyl 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932191
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetraphenyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101405265
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid (CID 24886588) is 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid is CCOC(=O)COc1cc(-c2ccccc2)nc(N(CC(=O)O)CC(=O)OCC)n1.
What is the InChIKey of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is UFOGPSODDRUXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-3-28-18(26)12-23(11-17(24)25)20-21-15(14-8-6-5-7-9-14)10-16(22-20)30-13-19(27)29-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid?
2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 417.42 g/mol, XLogP of 1.54, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-phenylpyrimidin-2-yl]-(2-ethoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 24886588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).