N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C17H20N6O2 — CID 75466655

IUPACN-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1cccc(OCCNC(=O)CN(C)c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C17H20N6O2/c1-12-4-3-5-13(8-12)25-7-6-18-14(24)9-23(2)17-15-16(20-10-19-15)21-11-22-17/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyMZYGRHGDCSXNIK-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 75466655) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID75466655
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1cccc(OCCNC(=O)CN(C)c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C17H20N6O2/c1-12-4-3-5-13(8-12)25-7-6-18-14(24)9-23(2)17-15-16(20-10-19-15)21-11-22-17/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyMZYGRHGDCSXNIK-UHFFFAOYSA-N
XLogP1.29
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646818
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 166195974
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 75466655) is N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is Cc1cccc(OCCNC(=O)CN(C)c2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is MZYGRHGDCSXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-4-3-5-13(8-12)25-7-6-18-14(24)9-23(2)17-15-16(20-10-19-15)21-11-22-17/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 75466655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).