1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone

C14H27NO6 — CID 10335257

IUPAC1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C14H27NO6/c1-14(16)15-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15/h2-13H2,1H3
InChIKeyCGFDGOUOCWMYQT-UHFFFAOYSA-N
MW305.37 g/mol
LogP-0.07
Rot. Bonds

About 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone

1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone (PubChem CID 10335257) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
PubChem CID10335257
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C14H27NO6/c1-14(16)15-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15/h2-13H2,1H3
InChIKeyCGFDGOUOCWMYQT-UHFFFAOYSA-N
XLogP-0.07
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-(5-acetyl-1,4,5-oxadiazepan-4-yl)ethanone
CID 11735587
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
1,4-dioxane;propan-2-one
CID 22407776
N-acetylmorpholine-4-carboxamide
CID 102407930
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
4-morpholin-4-ylpent-3-en-2-one
CID 592427

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone?
The IUPAC name of 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone (CID 10335257) is 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone is CC(=O)N1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone?
The InChIKey is CGFDGOUOCWMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-14(16)15-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15/h2-13H2,1H3.
What are the key properties of 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone?
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone has a molecular weight of 305.37 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone is sourced from PubChem (CID 10335257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).