7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

C12H20N2O6 — CID 546301

IUPAC7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESCN1CCOCCN(C)C(=O)COC(=O)COCC1=O
InChIInChI=1S/C12H20N2O6/c1-13-3-5-18-6-4-14(2)11(16)8-20-12(17)9-19-7-10(13)15/h3-9H2,1-2H3
InChIKeyAPHVXZXRQJUONJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.51
Rot. Bonds

About 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (PubChem CID 546301) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.

Molecular Properties

Compound Name7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
PubChem CID546301
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESCN1CCOCCN(C)C(=O)COC(=O)COCC1=O
InChIInChI=1S/C12H20N2O6/c1-13-3-5-18-6-4-14(2)11(16)8-20-12(17)9-19-7-10(13)15/h3-9H2,1-2H3
InChIKeyAPHVXZXRQJUONJ-UHFFFAOYSA-N
XLogP-1.51
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
Ethyl N,N-diethyloxamate
CID 138489
2-(2-(diethylamino)-2-oxoethoxy)-N,N-diethylacetamide
CID 12729092
Ethanaminium, 2-(((acetyloxy)acetyl)oxy)-N,N,N-trimethyl-, iodide
CID 3055986
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Acetoxyacetic acid, morpholide
CID 531940
1,4,10-Trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 568389
[2-(Diethylamino)-2-oxoethoxy]acetic acid
CID 7320778
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
N,N-diethylacetoxyacetamide
CID 19735944

Frequently Asked Questions

What is the IUPAC name of 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The IUPAC name of 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (CID 546301) is 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.
What is the SMILES notation for 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The canonical SMILES for 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is CN1CCOCCN(C)C(=O)COC(=O)COCC1=O.
What is the InChIKey of 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The InChIKey is APHVXZXRQJUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-13-3-5-18-6-4-14(2)11(16)8-20-12(17)9-19-7-10(13)15/h3-9H2,1-2H3.
What are the key properties of 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione has a molecular weight of 288.30 g/mol, XLogP of -1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is sourced from PubChem (CID 546301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).