N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide

C17H21N3O4 — CID 122304288

IUPACN-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
SMILESCCOc1ncc(NC(=O)C(C)Oc2ccccc2)c(OCC)n1
InChIInChI=1S/C17H21N3O4/c1-4-22-16-14(11-18-17(20-16)23-5-2)19-15(21)12(3)24-13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyHREICONUHRYGKO-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.68
Rot. Bonds8

About N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide

N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide (PubChem CID 122304288) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
PubChem CID122304288
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
SMILESCCOc1ncc(NC(=O)C(C)Oc2ccccc2)c(OCC)n1
InChIInChI=1S/C17H21N3O4/c1-4-22-16-14(11-18-17(20-16)23-5-2)19-15(21)12(3)24-13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyHREICONUHRYGKO-UHFFFAOYSA-N
XLogP2.68
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
N-[2-(2-phenoxypropanoylamino)phenyl]butanamide
CID 2977242
N-[2-[[(2R)-2-phenoxypropanoyl]amino]phenyl]butanamide
CID 1255249
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide (CID 122304288) is N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide is CCOc1ncc(NC(=O)C(C)Oc2ccccc2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide?
The InChIKey is HREICONUHRYGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-22-16-14(11-18-17(20-16)23-5-2)19-15(21)12(3)24-13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide?
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide has a molecular weight of 331.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide is sourced from PubChem (CID 122304288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).