N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide

C21H25N5O4 — CID 91438087

IUPACN-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide
SMILESCCCC1CC(OC)C(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)O1
InChIInChI=1S/C21H25N5O4/c1-3-7-15-10-16(28-2)21(30-15)26-13-24-18-19(22-12-23-20(18)26)25-17(27)11-29-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16,21H,3,7,10-11H2,1-2H3,(H,22,23,25,27)
InChIKeyFAVZALOUVTVKEH-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.95
Rot. Bonds8

About N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide

N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide (PubChem CID 91438087) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide
PubChem CID91438087
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide
SMILESCCCC1CC(OC)C(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)O1
InChIInChI=1S/C21H25N5O4/c1-3-7-15-10-16(28-2)21(30-15)26-13-24-18-19(22-12-23-20(18)26)25-17(27)11-29-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16,21H,3,7,10-11H2,1-2H3,(H,22,23,25,27)
InChIKeyFAVZALOUVTVKEH-UHFFFAOYSA-N
XLogP2.95
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[9-[3-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 90911609
[(2S,5R)-5-(6-benzamidopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-methylphosphinate
CID 140680411
[(2R,3R,4R,5R)-2-[bis(1,2,4-triazol-1-yl)phosphoryloxymethyl]-5-[6-[(2-phenoxyacetyl)amino]purin-9-yl]-4-(2-phenoxyacetyl)oxyoxolan-3-yl] 2-phenoxyacetate
CID 100926846
[6-[(2-phenoxyacetyl)amino]purin-9-yl] acetate
CID 67614880
N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]-2-phenoxyacetamide
CID 10930846
N-[9-[(2R,3R,4R,5R)-5-ethyl-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 170290375
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(2-cyanoethoxy)-4-hydroxyoxolan-2-yl]purin-6-yl]-2-phenoxyacetamide
CID 101439016
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyacetate
CID 10960915
N-[9-[(2R,3S)-3-ethoxy-4-methyloxetan-2-yl]purin-6-yl]benzamide
CID 126703595
N-[9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 67084775
N-[9-[(4S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 171699416
N-[9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 67717718

Frequently Asked Questions

What is the IUPAC name of N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide?
The IUPAC name of N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide (CID 91438087) is N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide is CCCC1CC(OC)C(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)O1.
What is the InChIKey of N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide?
The InChIKey is FAVZALOUVTVKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-3-7-15-10-16(28-2)21(30-15)26-13-24-18-19(22-12-23-20(18)26)25-17(27)11-29-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16,21H,3,7,10-11H2,1-2H3,(H,22,23,25,27).
What are the key properties of N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide?
N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide has a molecular weight of 411.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide is sourced from PubChem (CID 91438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).