N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C17H18N6O4 — CID 1203028

IUPACN-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18N6O4/c1-10(24)19-11-5-4-6-12(7-11)20-13(25)8-23-9-18-15-14(23)16(26)22(3)17(27)21(15)2/h4-7,9H,8H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyGSGUURRRUWNOER-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.03
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 1203028) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID1203028
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC NameN-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18N6O4/c1-10(24)19-11-5-4-6-12(7-11)20-13(25)8-23-9-18-15-14(23)16(26)22(3)17(27)21(15)2/h4-7,9H,8H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyGSGUURRRUWNOER-UHFFFAOYSA-N
XLogP0.03
TPSA120.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 1203028) is N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is GSGUURRRUWNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-10(24)19-11-5-4-6-12(7-11)20-13(25)8-23-9-18-15-14(23)16(26)22(3)17(27)21(15)2/h4-7,9H,8H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 370.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 1203028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).