1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone

C18H35NO8 — CID 20707611

IUPAC1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCCOCCOCCOCC1
InChIInChI=1S/C18H35NO8/c1-18(20)19-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-19/h2-17H2,1H3
InChIKeyLPWMMAJSKSKUPQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP-0.04
Rot. Bonds

About 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone

1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone (PubChem CID 20707611) has the molecular formula C18H35NO8 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
PubChem CID20707611
Molecular FormulaC18H35NO8
Molecular Weight393.48 g/mol
Exact Mass393.24
IUPAC Name1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCCOCCOCCOCC1
InChIInChI=1S/C18H35NO8/c1-18(20)19-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-19/h2-17H2,1H3
InChIKeyLPWMMAJSKSKUPQ-UHFFFAOYSA-N
XLogP-0.04
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
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CID 11735587
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
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CID 22407776
N-acetylmorpholine-4-carboxamide
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(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
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CID 592427

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone?
The IUPAC name of 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone (CID 20707611) is 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone is CC(=O)N1CCOCCOCCOCCOCCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone?
The InChIKey is LPWMMAJSKSKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO8/c1-18(20)19-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-19/h2-17H2,1H3.
What are the key properties of 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone?
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone has a molecular weight of 393.48 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone is sourced from PubChem (CID 20707611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).