N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide

C13H13N3O4 — CID 3161227

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H13N3O4/c1-2-20-10-6-4-3-5-8(10)11(17)15-9-7-14-13(19)16-12(9)18/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyWCHJGFUQMOVDHE-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.71
Rot. Bonds4

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide (PubChem CID 3161227) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide
PubChem CID3161227
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H13N3O4/c1-2-20-10-6-4-3-5-8(10)11(17)15-9-7-14-13(19)16-12(9)18/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyWCHJGFUQMOVDHE-UHFFFAOYSA-N
XLogP0.71
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Ethoxy-benzoylamino)-acetic acid
CID 748023
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide
CID 2975559
1-[(2-Ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 16023478
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-methoxybenzamide
CID 808737
Benzamide, N-((dimethylcarbamoyl)methyl)-o-methoxy-
CID 199585
4-[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]phenyl propanoate
CID 976749
N-[2-(2-ethoxyphenyl)-1-(1-piperidinylcarbonyl)vinyl]benzamide
CID 1376033
N-[1-Allylcarbamoyl-2-(2-ethoxy-phenyl)-vinyl]-benzamide
CID 1731344
N-(3-methoxypropyl)-2-phenoxybenzamide
CID 2188154
5,5-Dimethyl-3-[3-(2-propionylphenoxy)propyl]-2,4-imidazolidinedione
CID 2215913
N-(3-butoxypropyl)-2-ethoxybenzamide
CID 2290248

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide (CID 3161227) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide?
The InChIKey is WCHJGFUQMOVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-2-20-10-6-4-3-5-8(10)11(17)15-9-7-14-13(19)16-12(9)18/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-ethoxybenzamide has a molecular weight of 275.26 g/mol, XLogP of 0.71, 4 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-ethoxybenzamide is sourced from PubChem (CID 3161227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).