1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone

C16H30N2O6 — CID 3090866

IUPAC1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone
SMILESCC(=O)N1CCOCCOCCN(C(C)=O)CCOCCOCC1
InChIInChI=1S/C16H30N2O6/c1-15(19)17-3-7-21-11-13-23-9-5-18(16(2)20)6-10-24-14-12-22-8-4-17/h3-14H2,1-2H3
InChIKeyMCPHGXGDHWNZGA-UHFFFAOYSA-N
MW346.42 g/mol
LogP-0.24
Rot. Bonds

About 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone

1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone (PubChem CID 3090866) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone.

Molecular Properties

Compound Name1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone
PubChem CID3090866
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone
SMILESCC(=O)N1CCOCCOCCN(C(C)=O)CCOCCOCC1
InChIInChI=1S/C16H30N2O6/c1-15(19)17-3-7-21-11-13-23-9-5-18(16(2)20)6-10-24-14-12-22-8-4-17/h3-14H2,1-2H3
InChIKeyMCPHGXGDHWNZGA-UHFFFAOYSA-N
XLogP-0.24
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone?
The IUPAC name of 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone (CID 3090866) is 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone.
What is the SMILES notation for 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone?
The canonical SMILES for 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone is CC(=O)N1CCOCCOCCN(C(C)=O)CCOCCOCC1.
What is the InChIKey of 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone?
The InChIKey is MCPHGXGDHWNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-15(19)17-3-7-21-11-13-23-9-5-18(16(2)20)6-10-24-14-12-22-8-4-17/h3-14H2,1-2H3.
What are the key properties of 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone?
1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone has a molecular weight of 346.42 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-acetyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethanone is sourced from PubChem (CID 3090866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).