2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane

C16H25NO5 — CID 21285761

IUPAC2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
SMILESc1ccc(CN2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C16H25NO5/c1-2-4-16(5-3-1)14-17-15-21-11-10-19-7-6-18-8-9-20-12-13-22-17/h1-5H,6-15H2
InChIKeyULQOLRXDANVUBP-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.46
Rot. Bonds2

About 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane

2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane (PubChem CID 21285761) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane.

Molecular Properties

Compound Name2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
PubChem CID21285761
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
SMILESc1ccc(CN2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C16H25NO5/c1-2-4-16(5-3-1)14-17-15-21-11-10-19-7-6-18-8-9-20-12-13-22-17/h1-5H,6-15H2
InChIKeyULQOLRXDANVUBP-UHFFFAOYSA-N
XLogP1.46
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane 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

2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CID 88924597
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
2-benzyl-1,2-oxazolidine-3-thione
CID 88823942
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
dilithium;4-benzylmorpholine;sulfite
CID 160525639
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-1,3-diazetidine
CID 67702530
1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
3-phenyl-1,3-oxazolidine
CID 519787
4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
CID 177444989

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane?
The IUPAC name of 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane (CID 21285761) is 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane.
What is the SMILES notation for 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane?
The canonical SMILES for 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane is c1ccc(CN2COCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane?
The InChIKey is ULQOLRXDANVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-2-4-16(5-3-1)14-17-15-21-11-10-19-7-6-18-8-9-20-12-13-22-17/h1-5H,6-15H2.
What are the key properties of 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane?
2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane has a molecular weight of 311.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4,7,10,13-pentaoxa-2-azacyclopentadecane is sourced from PubChem (CID 21285761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).