1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone

C20H38N2O8 — CID 74765922

IUPAC1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCN(C(C)=O)CCOCCOCCOCC1
InChIInChI=1S/C20H38N2O8/c1-19(23)21-3-7-25-11-15-29-17-13-27-9-5-22(20(2)24)6-10-28-14-18-30-16-12-26-8-4-21/h3-18H2,1-2H3
InChIKeyWSGURMNBEUZBGW-UHFFFAOYSA-N
MW434.53 g/mol
LogP-0.20
Rot. Bonds

About 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone

1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone (PubChem CID 74765922) has the molecular formula C20H38N2O8 and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone.

Molecular Properties

Compound Name1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone
PubChem CID74765922
Molecular FormulaC20H38N2O8
Molecular Weight434.53 g/mol
Exact Mass434.26
IUPAC Name1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCN(C(C)=O)CCOCCOCCOCC1
InChIInChI=1S/C20H38N2O8/c1-19(23)21-3-7-25-11-15-29-17-13-27-9-5-22(20(2)24)6-10-28-14-18-30-16-12-26-8-4-21/h3-18H2,1-2H3
InChIKeyWSGURMNBEUZBGW-UHFFFAOYSA-N
XLogP-0.20
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone?
The IUPAC name of 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone (CID 74765922) is 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone.
What is the SMILES notation for 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone?
The canonical SMILES for 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone is CC(=O)N1CCOCCOCCOCCN(C(C)=O)CCOCCOCCOCC1.
What is the InChIKey of 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone?
The InChIKey is WSGURMNBEUZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O8/c1-19(23)21-3-7-25-11-15-29-17-13-27-9-5-22(20(2)24)6-10-28-14-18-30-16-12-26-8-4-21/h3-18H2,1-2H3.
What are the key properties of 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone?
1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone has a molecular weight of 434.53 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(22-acetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)ethanone is sourced from PubChem (CID 74765922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).