N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide

C20H20N4O4 — CID 55753590

IUPACN-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
SMILESCC(=O)c1ccccc1NC(=O)CCCn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)16-5-2-3-6-17(16)22-18(26)7-4-10-23-19(27)14(11-21)12-24(20(23)28)15-8-9-15/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,22,26)
InChIKeyBTGUBGCBGRXABJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.84
Rot. Bonds7

About N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide

N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide (PubChem CID 55753590) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
PubChem CID55753590
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
SMILESCC(=O)c1ccccc1NC(=O)CCCn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)16-5-2-3-6-17(16)22-18(26)7-4-10-23-19(27)14(11-21)12-24(20(23)28)15-8-9-15/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,22,26)
InChIKeyBTGUBGCBGRXABJ-UHFFFAOYSA-N
XLogP1.84
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide (CID 55753590) is N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide is CC(=O)c1ccccc1NC(=O)CCCn1c(=O)c(C#N)cn(C2CC2)c1=O.
What is the InChIKey of N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide?
The InChIKey is BTGUBGCBGRXABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(25)16-5-2-3-6-17(16)22-18(26)7-4-10-23-19(27)14(11-21)12-24(20(23)28)15-8-9-15/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,22,26).
What are the key properties of N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide?
N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide has a molecular weight of 380.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 55753590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).