3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide

C17H19N5O4 — CID 6494608

IUPAC3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-18-15)9-8-13(23)19-11-6-4-5-7-12(11)26-3/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyCMKXHEFBXRLSRL-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.47
Rot. Bonds5

About 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 6494608) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID6494608
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-18-15)9-8-13(23)19-11-6-4-5-7-12(11)26-3/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyCMKXHEFBXRLSRL-UHFFFAOYSA-N
XLogP0.47
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)butanamide
CID 40511732
N-(2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 40723559
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylbutanamide
CID 26087298
2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide
CID 9399029
N-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6494626
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 6494603
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-tert-butyl-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6458777
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 3636120
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 798673

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide (CID 6494608) is 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is CMKXHEFBXRLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-18-15)9-8-13(23)19-11-6-4-5-7-12(11)26-3/h4-7,10H,8-9H2,1-3H3,(H,19,23).
What are the key properties of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide?
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 357.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 6494608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).