N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C21H21N3O5 — CID 3404438

IUPACN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OCC)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-28-15-11-9-14(10-12-15)24-20(26)16(13-22-21(24)27)19(25)23-17-7-5-6-8-18(17)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyBUDZDAIPFOWJGL-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.58
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 3404438) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID3404438
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OCC)c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-28-15-11-9-14(10-12-15)24-20(26)16(13-22-21(24)27)19(25)23-17-7-5-6-8-18(17)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyBUDZDAIPFOWJGL-UHFFFAOYSA-N
XLogP2.58
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3627249
N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4107917
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
5-acetyl-3-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
CID 51056920
3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 3404438) is N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OCC)c2=O)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BUDZDAIPFOWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-28-15-11-9-14(10-12-15)24-20(26)16(13-22-21(24)27)19(25)23-17-7-5-6-8-18(17)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3404438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).