16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C18H29NO5 — CID 3090852

IUPAC16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(N2CCOCCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-2-4-18(5-3-1)19-6-8-20-10-12-22-14-16-24-17-15-23-13-11-21-9-7-19/h1-5H,6-17H2
InChIKeyJAQUNKKEAWDWIA-UHFFFAOYSA-N
MW339.43 g/mol
LogP1.59
Rot. Bonds1

About 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 3090852) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID3090852
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(N2CCOCCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-2-4-18(5-3-1)19-6-8-20-10-12-22-14-16-24-17-15-23-13-11-21-9-7-19/h1-5H,6-17H2
InChIKeyJAQUNKKEAWDWIA-UHFFFAOYSA-N
XLogP1.59
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane 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

4-Phenylmorpholine
CID 62339
N-Phenyl diethanolamine
CID 8416
2-(N-ethylanilino)ethanol
CID 62338
13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 626432
N,N-Diglycidylaniline
CID 16412
2-(N-Methylanilino)ethanol
CID 62340
Ethanol, 2,2'-(phenylimino)bis-, 1,1'-diacetate
CID 29521
Benzenamine, 4-(4-morpholinyl)-
CID 75655
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
Ethanol, 2-(ethylphenylamino)-, 1-acetate
CID 113382
2-[N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
CID 415575
N-Cyanoethyl-N-acetoxyethylaniline
CID 89163

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 3090852) is 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is c1ccc(N2CCOCCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is JAQUNKKEAWDWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5/c1-2-4-18(5-3-1)19-6-8-20-10-12-22-14-16-24-17-15-23-13-11-21-9-7-19/h1-5H,6-17H2.
What are the key properties of 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 339.43 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 3090852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).