10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione

C17H25N3O4 — CID 10088312

IUPAC10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
SMILESO=C1COCCOCC(=O)NCCN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H25N3O4/c21-16-13-23-10-11-24-14-17(22)19-7-9-20(8-6-18-16)12-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,21)(H,19,22)
InChIKeyKGKIVWUCYRUIMD-UHFFFAOYSA-N
MW335.40 g/mol
LogP-0.23
Rot. Bonds2

About 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione

10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione (PubChem CID 10088312) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione.

Molecular Properties

Compound Name10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
PubChem CID10088312
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
SMILESO=C1COCCOCC(=O)NCCN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H25N3O4/c21-16-13-23-10-11-24-14-17(22)19-7-9-20(8-6-18-16)12-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,21)(H,19,22)
InChIKeyKGKIVWUCYRUIMD-UHFFFAOYSA-N
XLogP-0.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-benzyl-1,4,8-oxadiazecan-5-one
CID 110200993
1-benzyl-1,4-diazepan-5-one;1-methyl-1,4-diazepan-5-one
CID 91058737
4,14-dibenzyl-1,1-dioxo-1λ6-thia-4,7,11,14-tetrazacyclohexadecane-8,10-dione
CID 10929024
3,12-dibenzyl-1-oxa-3,6,9,12,15-pentazacycloheptadecane-2,5,16-trione
CID 177459170
4,13-dibenzyl-1,1-dioxo-1λ6-thia-4,7,10,13-tetrazacyclopentadecane-8,9-dione
CID 11113478
azane;1-benzylpiperazine
CID 174866973
(1S,14S)-6,9-dibenzyl-16,16-dimethyl-15,17-dioxa-3,6,9,12-tetrazabicyclo[12.3.0]heptadecane-2,13-dione
CID 11518621
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
methyl 4-[(5-oxo-1,4-diazepan-1-yl)methyl]benzoate
CID 60711017
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 26623969

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione?
The IUPAC name of 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione (CID 10088312) is 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione.
What is the SMILES notation for 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione?
The canonical SMILES for 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione is O=C1COCCOCC(=O)NCCN(Cc2ccccc2)CCN1.
What is the InChIKey of 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione?
The InChIKey is KGKIVWUCYRUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c21-16-13-23-10-11-24-14-17(22)19-7-9-20(8-6-18-16)12-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,21)(H,19,22).
What are the key properties of 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione?
10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione has a molecular weight of 335.40 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione is sourced from PubChem (CID 10088312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).