2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H20N4O4 — CID 55597146

IUPAC2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)cc1
InChIInChI=1S/C19H20N4O4/c1-27-16-6-2-13(3-7-16)8-9-21-17(24)12-23-18(25)14(10-20)11-22(19(23)26)15-4-5-15/h2-3,6-7,11,15H,4-5,8-9,12H2,1H3,(H,21,24)
InChIKeyZNCREGNUAMVINF-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.58
Rot. Bonds7

About 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 55597146) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID55597146
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)cc1
InChIInChI=1S/C19H20N4O4/c1-27-16-6-2-13(3-7-16)8-9-21-17(24)12-23-18(25)14(10-20)11-22(19(23)26)15-4-5-15/h2-3,6-7,11,15H,4-5,8-9,12H2,1H3,(H,21,24)
InChIKeyZNCREGNUAMVINF-UHFFFAOYSA-N
XLogP0.58
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 38672304
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992730
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 122635897
2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 55597146) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)cc1.
What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is ZNCREGNUAMVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-27-16-6-2-13(3-7-16)8-9-21-17(24)12-23-18(25)14(10-20)11-22(19(23)26)15-4-5-15/h2-3,6-7,11,15H,4-5,8-9,12H2,1H3,(H,21,24).
What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55597146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).