2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane

C25H29N5O3 — CID 161164511

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
SMILESC.Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C24H25N5O3.CH4/c1-24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)15-25-19(30)14-29-16-26-21-20(29)22(31)28(3)23(32)27(21)2;/h4-13,16H,14-15H2,1-3H3,(H,25,30);1H4
InChIKeyUQIQODWNMRHXLY-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.19
Rot. Bonds6

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane (PubChem CID 161164511) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
PubChem CID161164511
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
SMILESC.Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C24H25N5O3.CH4/c1-24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)15-25-19(30)14-29-16-26-21-20(29)22(31)28(3)23(32)27(21)2;/h4-13,16H,14-15H2,1-3H3,(H,25,30);1H4
InChIKeyUQIQODWNMRHXLY-UHFFFAOYSA-N
XLogP2.19
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
CID 16567061
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 1164371
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448878
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 1250074
N-[[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 1414618
N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
CID 24844051
4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 7856329
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 798673

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane (CID 161164511) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane is C.Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane?
The InChIKey is UQIQODWNMRHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.CH4/c1-24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)15-25-19(30)14-29-16-26-21-20(29)22(31)28(3)23(32)27(21)2;/h4-13,16H,14-15H2,1-3H3,(H,25,30);1H4.
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane has a molecular weight of 447.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane is sourced from PubChem (CID 161164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).