[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate

C17H25N5O5 — CID 31733548

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
SMILESCC(C)N(C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C
InChIInChI=1S/C17H25N5O5/c1-10(2)22(11(3)4)12(23)8-27-13(24)7-21-16(25)14-15(18-9-19(14)5)20(6)17(21)26/h9-11H,7-8H2,1-6H3
InChIKeyGWSBXFWPMHZHSW-UHFFFAOYSA-N
MW379.42 g/mol
LogP-0.38
Rot. Bonds6

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate (PubChem CID 31733548) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
PubChem CID31733548
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
SMILESCC(C)N(C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C
InChIInChI=1S/C17H25N5O5/c1-10(2)22(11(3)4)12(23)8-27-13(24)7-21-16(25)14-15(18-9-19(14)5)20(6)17(21)26/h9-11H,7-8H2,1-6H3
InChIKeyGWSBXFWPMHZHSW-UHFFFAOYSA-N
XLogP-0.38
TPSA108.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate 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

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 167782250
3-bromopropyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 168957622
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
(2-chlorophenyl)methyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 78764624
N-(3-aminobutyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide;hydrochloride
CID 119494937
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 51153692
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 55379014
ethyl 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoate
CID 10852312
tert-butyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]oxyacetate
CID 176652771
(2R)-2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]propanoic acid
CID 119369953
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161005
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550051

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate (CID 31733548) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate is CC(C)N(C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate?
The InChIKey is GWSBXFWPMHZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-10(2)22(11(3)4)12(23)8-27-13(24)7-21-16(25)14-15(18-9-19(14)5)20(6)17(21)26/h9-11H,7-8H2,1-6H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate has a molecular weight of 379.42 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate is sourced from PubChem (CID 31733548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).