N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide

C20H21N3O3 — CID 122304411

IUPACN-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESCCOc1ncc(NC(=O)Cc2cccc3ccccc23)c(OCC)n1
InChIInChI=1S/C20H21N3O3/c1-3-25-19-17(13-21-20(23-19)26-4-2)22-18(24)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyDXMKLIHDVODXHH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.61
Rot. Bonds7

About N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide

N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide (PubChem CID 122304411) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
PubChem CID122304411
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESCCOc1ncc(NC(=O)Cc2cccc3ccccc23)c(OCC)n1
InChIInChI=1S/C20H21N3O3/c1-3-25-19-17(13-21-20(23-19)26-4-2)22-18(24)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyDXMKLIHDVODXHH-UHFFFAOYSA-N
XLogP3.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
CID 122304294
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-(2-ethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 17476443

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide (CID 122304411) is N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide is CCOc1ncc(NC(=O)Cc2cccc3ccccc23)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is DXMKLIHDVODXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-19-17(13-21-20(23-19)26-4-2)22-18(24)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 351.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 122304411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).