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

C18H20N6O4 — CID 7856269

IUPAC(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H20N6O4/c1-10(16(26)21-13-7-5-12(6-8-13)20-11(2)25)24-9-19-15-14(24)17(27)23(4)18(28)22(15)3/h5-10H,1-4H3,(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyKXMIDRXBNPXAJH-SNVBAGLBSA-N
MW384.40 g/mol
LogP0.59
Rot. Bonds4

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

(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (PubChem CID 7856269) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
PubChem CID7856269
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H20N6O4/c1-10(16(26)21-13-7-5-12(6-8-13)20-11(2)25)24-9-19-15-14(24)17(27)23(4)18(28)22(15)3/h5-10H,1-4H3,(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyKXMIDRXBNPXAJH-SNVBAGLBSA-N
XLogP0.59
TPSA120.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]phenyl]-2-methylpropanamide
CID 40709967
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)propanamide
CID 4805058
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)propanamide
CID 86763942
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
CID 46824514
N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 16534949
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 16534950
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 51140042
N-(2,6-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237383
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 7856321
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)-N-(2,4-dimethylphenyl)propanamide
CID 40661315
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17454283

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (CID 7856269) is (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The InChIKey is KXMIDRXBNPXAJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-10(16(26)21-13-7-5-12(6-8-13)20-11(2)25)24-9-19-15-14(24)17(27)23(4)18(28)22(15)3/h5-10H,1-4H3,(H,20,25)(H,21,26)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide has a molecular weight of 384.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is sourced from PubChem (CID 7856269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).