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

C17H26N6O2 — CID 51077841

IUPACN-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H26N6O2/c1-23(17-15-16(20-11-19-15)21-12-22-17)10-14(24)18-8-5-9-25-13-6-3-2-4-7-13/h11-13H,2-10H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyCPXJRLKOWTZOMK-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.64
Rot. Bonds8

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

N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 51077841) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID51077841
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H26N6O2/c1-23(17-15-16(20-11-19-15)21-12-22-17)10-14(24)18-8-5-9-25-13-6-3-2-4-7-13/h11-13H,2-10H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyCPXJRLKOWTZOMK-UHFFFAOYSA-N
XLogP1.64
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone
CID 94823093
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 47911056
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 51077841) is N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)NCCCOC1CCCCC1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is CPXJRLKOWTZOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-23(17-15-16(20-11-19-15)21-12-22-17)10-14(24)18-8-5-9-25-13-6-3-2-4-7-13/h11-13H,2-10H2,1H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 346.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 51077841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).