1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone

C14H26N2O5 — CID 3090865

IUPAC1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone
SMILESCC(=O)N1CCOCCOCCN(C(C)=O)CCOCC1
InChIInChI=1S/C14H26N2O5/c1-13(17)15-3-7-19-8-4-16(14(2)18)6-10-21-12-11-20-9-5-15/h3-12H2,1-2H3
InChIKeyHFJYWKZXWZRHHQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP-0.25
Rot. Bonds

About 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone

1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone (PubChem CID 3090865) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone.

Molecular Properties

Compound Name1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone
PubChem CID3090865
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone
SMILESCC(=O)N1CCOCCOCCN(C(C)=O)CCOCC1
InChIInChI=1S/C14H26N2O5/c1-13(17)15-3-7-19-8-4-16(14(2)18)6-10-21-12-11-20-9-5-15/h3-12H2,1-2H3
InChIKeyHFJYWKZXWZRHHQ-UHFFFAOYSA-N
XLogP-0.25
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone?
The IUPAC name of 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone (CID 3090865) is 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone.
What is the SMILES notation for 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone?
The canonical SMILES for 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone is CC(=O)N1CCOCCOCCN(C(C)=O)CCOCC1.
What is the InChIKey of 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone?
The InChIKey is HFJYWKZXWZRHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(17)15-3-7-19-8-4-16(14(2)18)6-10-21-12-11-20-9-5-15/h3-12H2,1-2H3.
What are the key properties of 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone?
1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone has a molecular weight of 302.37 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(13-acetyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)ethanone is sourced from PubChem (CID 3090865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).