1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone

C12H23NO5 — CID 10061205

IUPAC1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3
InChIKeyLDDZLZKQCHQDKR-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.09
Rot. Bonds

About 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone

1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone (PubChem CID 10061205) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
PubChem CID10061205
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3
InChIKeyLDDZLZKQCHQDKR-UHFFFAOYSA-N
XLogP-0.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4,7-Trioxa-10-azacyclododecan-10-yl)ethanone
CID 949153
N,N-Bis(acetoxyethyl)acetamide
CID 21430
1,1'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diethanone
CID 3090865
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-diacetyl-
CID 3090866
1,7-Dioxa-4,10-diazacyclododecane, 4,10-diacetyl-
CID 3792516
Acetamide, N-(ethoxyethyl)-N-ethyl-
CID 50628
Acetamide, N-(2-butoxyethyl)-N-ethyl-
CID 3050601
1-(1,4,7,10,13-Pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
2-fluoro-N,N-bis(2-methoxyethyl)acetamide
CID 59892566
Ethyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 766197
N,N'-diacetyl-1,13-diaza-24-crown-8
CID 74765922

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone (CID 10061205) is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone is CC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The InChIKey is LDDZLZKQCHQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3.
What are the key properties of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone is sourced from PubChem (CID 10061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).