10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione

C16H28N2O8 — CID 575682

IUPAC10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione
SMILESCN1CCOCCOCCOCCN(C)C(=O)COC(=O)COCC1=O
InChIInChI=1S/C16H28N2O8/c1-17-3-5-22-7-9-24-10-8-23-6-4-18(2)15(20)12-26-16(21)13-25-11-14(17)19/h3-13H2,1-2H3
InChIKeyXETOLSGRYRUVIN-UHFFFAOYSA-N
MW376.41 g/mol
LogP-1.47
Rot. Bonds

About 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione

10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione (PubChem CID 575682) has the molecular formula C16H28N2O8 and a molecular weight of 376.41 g/mol. Its IUPAC name is 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione.

Molecular Properties

Compound Name10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione
PubChem CID575682
Molecular FormulaC16H28N2O8
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione
SMILESCN1CCOCCOCCOCCN(C)C(=O)COC(=O)COCC1=O
InChIInChI=1S/C16H28N2O8/c1-17-3-5-22-7-9-24-10-8-23-6-4-18(2)15(20)12-26-16(21)13-25-11-14(17)19/h3-13H2,1-2H3
InChIKeyXETOLSGRYRUVIN-UHFFFAOYSA-N
XLogP-1.47
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione with MolForge

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Related Compounds

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-diacetyl-
CID 3090866
[2-(Diethylamino)-2-oxoethoxy]acetic acid
CID 7320778
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
N,N-diethylacetoxyacetamide
CID 19735944
Acetamide, 2,2'-[1,2-ethanediylbis(oxy)]bis[N,N-dipropyl-
CID 540251
N,N'-diacetyl-1,13-diaza-24-crown-8
CID 74765922
7,16-Dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-2,6,17-trione
CID 546296
7,13-Dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 546301
3,6-Dioxaoctanediamide, N,N-diethyl-N'-methyl-N'-(2-hydroxy-2-oxoethyl)-
CID 567786
Acetic acid, [2-[2-(diethylamino)-2-oxoethoxy]ethoxy]-
CID 567793
Acetoxyacetic acid, 2-diethylaminoethyl ester
CID 91698983
Acetic acid, [2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-
CID 10220566

Frequently Asked Questions

What is the IUPAC name of 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione?
The IUPAC name of 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione (CID 575682) is 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione.
What is the SMILES notation for 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione?
The canonical SMILES for 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione is CN1CCOCCOCCOCCN(C)C(=O)COC(=O)COCC1=O.
What is the InChIKey of 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione?
The InChIKey is XETOLSGRYRUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O8/c1-17-3-5-22-7-9-24-10-8-23-6-4-18(2)15(20)12-26-16(21)13-25-11-14(17)19/h3-13H2,1-2H3.
What are the key properties of 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione?
10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione has a molecular weight of 376.41 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,19-dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione is sourced from PubChem (CID 575682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).