4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide

C20H25N5O3 — CID 51158178

IUPAC4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H25N5O3/c1-14-8-5-6-9-15(14)12-22(2)16(26)10-7-11-25-13-21-18-17(25)19(27)24(4)20(28)23(18)3/h5-6,8-9,13H,7,10-12H2,1-4H3
InChIKeyQZGQHRUPHURDOQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.18
Rot. Bonds6

About 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 51158178) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID51158178
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H25N5O3/c1-14-8-5-6-9-15(14)12-22(2)16(26)10-7-11-25-13-21-18-17(25)19(27)24(4)20(28)23(18)3/h5-6,8-9,13H,7,10-12H2,1-4H3
InChIKeyQZGQHRUPHURDOQ-UHFFFAOYSA-N
XLogP1.18
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24572592
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide
CID 51198655
N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)butanamide
CID 55333622
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethylbutanamide
CID 40975189
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
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
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)butanamide
CID 40511732
2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide
CID 9399029
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 51158178) is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is QZGQHRUPHURDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-8-5-6-9-15(14)12-22(2)16(26)10-7-11-25-13-21-18-17(25)19(27)24(4)20(28)23(18)3/h5-6,8-9,13H,7,10-12H2,1-4H3.
What are the key properties of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 1.18, 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-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 51158178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).