4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide

C19H22FN5O3 — CID 51198655

IUPAC4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide
SMILESCCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O3/c1-4-25(14-9-7-13(20)8-10-14)15(26)6-5-11-24-12-21-17-16(24)18(27)23(3)19(28)22(17)2/h7-10,12H,4-6,11H2,1-3H3
InChIKeyREBJCEWXMBSZJK-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.41
Rot. Bonds6

About 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide (PubChem CID 51198655) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide
PubChem CID51198655
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide
SMILESCCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O3/c1-4-25(14-9-7-13(20)8-10-14)15(26)6-5-11-24-12-21-17-16(24)18(27)23(3)19(28)22(17)2/h7-10,12H,4-6,11H2,1-3H3
InChIKeyREBJCEWXMBSZJK-UHFFFAOYSA-N
XLogP1.41
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide with MolForge

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43040078
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 51158178
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 16535012
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)butanamide
CID 40511732
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 55673552
7-(7-hydroxydecyl)-1,3-dimethylpurine-2,6-dione
CID 67820217
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)butanamide
CID 40722964
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 41221076
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 26995966

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide?
The IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide (CID 51198655) is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide is CCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1.
What is the InChIKey of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide?
The InChIKey is REBJCEWXMBSZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-4-25(14-9-7-13(20)8-10-14)15(26)6-5-11-24-12-21-17-16(24)18(27)23(3)19(28)22(17)2/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide?
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide has a molecular weight of 387.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 51198655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).