N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C14H22N6O3 — CID 3653705

IUPACN-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H22N6O3/c1-17(2)7-5-6-15-10(21)8-20-9-16-12-11(20)13(22)19(4)14(23)18(12)3/h9H,5-8H2,1-4H3,(H,15,21)
InChIKeyIJQVBLGOXGPMMZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP-1.50
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 3653705) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID3653705
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H22N6O3/c1-17(2)7-5-6-15-10(21)8-20-9-16-12-11(20)13(22)19(4)14(23)18(12)3/h9H,5-8H2,1-4H3,(H,15,21)
InChIKeyIJQVBLGOXGPMMZ-UHFFFAOYSA-N
XLogP-1.50
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 3653705) is N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is CN(C)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is IJQVBLGOXGPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-17(2)7-5-6-15-10(21)8-20-9-16-12-11(20)13(22)19(4)14(23)18(12)3/h9H,5-8H2,1-4H3,(H,15,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 322.37 g/mol, XLogP of -1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 3653705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).