N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide

C14H15N3O4 — CID 935760

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-2-9-4-3-5-10(6-9)21-8-12(18)16-11-7-15-14(20)17-13(11)19/h3-7H,2,8H2,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyGMWNIBOFJYOLRC-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.64
Rot. Bonds5

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide (PubChem CID 935760) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide
PubChem CID935760
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-2-9-4-3-5-10(6-9)21-8-12(18)16-11-7-15-14(20)17-13(11)19/h3-7H,2,8H2,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyGMWNIBOFJYOLRC-UHFFFAOYSA-N
XLogP0.64
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide (CID 935760) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide?
The InChIKey is GMWNIBOFJYOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-9-4-3-5-10(6-9)21-8-12(18)16-11-7-15-14(20)17-13(11)19/h3-7H,2,8H2,1H3,(H,16,18)(H2,15,17,19,20).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide has a molecular weight of 289.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 935760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).