N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide

C23H23N5O2 — CID 23624221

IUPACN-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)n([11CH3])c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/i2-1
InChIKeyNBMBIEOUVBHEBM-JVVVGQRLSA-N
MW400.47 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide

N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide (PubChem CID 23624221) has the molecular formula C23H23N5O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide
PubChem CID23624221
Molecular FormulaC23H23N5O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC NameN-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)n([11CH3])c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/i2-1
InChIKeyNBMBIEOUVBHEBM-JVVVGQRLSA-N
XLogP2.85
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Emapunil
CID 6433109
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 18a
CID 5329351
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-(2-Phenyl-1h-Imidazol-1-Yl)-7,8-Dihydropteridin-6(5h)-One
CID 58405631
N-benzyl-N-ethyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582188
N-benzyl-N-(2-fluoroethyl)-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582190
7-benzyl-8-(1H-imidazol-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 797199
3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009
1-Benzyl-3-cyclohexylmethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 10949114
1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 10970979
1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11046285
1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11056301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide (CID 23624221) is N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cn1c(=O)n([11CH3])c2cnc(-c3ccccc3)nc21.
What is the InChIKey of N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide?
The InChIKey is NBMBIEOUVBHEBM-JVVVGQRLSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/i2-1.
What are the key properties of N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide?
N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide has a molecular weight of 400.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(7-(111C)methyl-8-oxo-2-phenylpurin-9-yl)acetamide is sourced from PubChem (CID 23624221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).