(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide

C18H21N5O3 — CID 40661315

IUPAC(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C18H21N5O3/c1-10-6-7-13(11(2)8-10)20-16(24)12(3)23-9-19-15-14(23)17(25)22(5)18(26)21(15)4/h6-9,12H,1-5H3,(H,20,24)/t12-/m1/s1
InChIKeyZCNCZDDGKYSBSZ-GFCCVEGCSA-N
MW355.40 g/mol
LogP1.25
Rot. Bonds3

About (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide

(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 40661315) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID40661315
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C18H21N5O3/c1-10-6-7-13(11(2)8-10)20-16(24)12(3)23-9-19-15-14(23)17(25)22(5)18(26)21(15)4/h6-9,12H,1-5H3,(H,20,24)/t12-/m1/s1
InChIKeyZCNCZDDGKYSBSZ-GFCCVEGCSA-N
XLogP1.25
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide 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

(2R)-N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 25334499
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 7856321
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 51140042
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 16534950
(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 7856269
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17454283
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
CID 46824514
N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237383
7-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione
CID 7856299
N-tert-butyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237378
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
CID 118471919
N-[4-[(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]phenyl]-2-methylpropanamide
CID 40709967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide (CID 40661315) is (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.
What is the InChIKey of (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is ZCNCZDDGKYSBSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10-6-7-13(11(2)8-10)20-16(24)12(3)23-9-19-15-14(23)17(25)22(5)18(26)21(15)4/h6-9,12H,1-5H3,(H,20,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 40661315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).