N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine

C23H32N2O2 — CID 22978435

IUPACN-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine
SMILESCCC1(CCc2ccc(OCCC/N=c3\ccccn3O)cc2)CCCC1
InChIInChI=1S/C23H32N2O2/c1-2-23(14-4-5-15-23)16-13-20-9-11-21(12-10-20)27-19-7-17-24-22-8-3-6-18-25(22)26/h3,6,8-12,18,26H,2,4-5,7,13-17,19H2,1H3/b24-22+
InChIKeyZXDFGPZZHRJCPL-ZNTNEXAZSA-N
MW368.52 g/mol
LogP5.00
Rot. Bonds9

About N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine

N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine (PubChem CID 22978435) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine.

Molecular Properties

Compound NameN-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine
PubChem CID22978435
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine
SMILESCCC1(CCc2ccc(OCCC/N=c3\ccccn3O)cc2)CCCC1
InChIInChI=1S/C23H32N2O2/c1-2-23(14-4-5-15-23)16-13-20-9-11-21(12-10-20)27-19-7-17-24-22-8-3-6-18-25(22)26/h3,6,8-12,18,26H,2,4-5,7,13-17,19H2,1H3/b24-22+
InChIKeyZXDFGPZZHRJCPL-ZNTNEXAZSA-N
XLogP5.00
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
1-(3-azidopropoxy)-4-propylbenzene
CID 62550685
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944217
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288
methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
CID 134382420
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
2-benzyl-1-bromo-2-[3-(4-butoxyphenoxy)propyl]piperidine
CID 166067341
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109470854
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine?
The IUPAC name of N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine (CID 22978435) is N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine.
What is the SMILES notation for N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine?
The canonical SMILES for N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine is CCC1(CCc2ccc(OCCC/N=c3\ccccn3O)cc2)CCCC1.
What is the InChIKey of N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine?
The InChIKey is ZXDFGPZZHRJCPL-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-2-23(14-4-5-15-23)16-13-20-9-11-21(12-10-20)27-19-7-17-24-22-8-3-6-18-25(22)26/h3,6,8-12,18,26H,2,4-5,7,13-17,19H2,1H3/b24-22+.
What are the key properties of N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine?
N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine has a molecular weight of 368.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(1-ethylcyclopentyl)ethyl]phenoxy]propyl]-1-hydroxypyridin-2-imine is sourced from PubChem (CID 22978435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).