ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate

C16H30N2O6 — CID 3110909

IUPACethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate
SMILESCCOC(=O)N1CCOCCOCCN(C(=O)CC)CCOCC1
InChIInChI=1S/C16H30N2O6/c1-3-15(19)17-5-9-21-11-7-18(16(20)24-4-2)8-12-23-14-13-22-10-6-17/h3-14H2,1-2H3
InChIKeyMUAODJFGIKNKFQ-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.75
Rot. Bonds2

About ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate

ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate (PubChem CID 3110909) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate.

Molecular Properties

Compound Nameethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate
PubChem CID3110909
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Nameethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate
SMILESCCOC(=O)N1CCOCCOCCN(C(=O)CC)CCOCC1
InChIInChI=1S/C16H30N2O6/c1-3-15(19)17-5-9-21-11-7-18(16(20)24-4-2)8-12-23-14-13-22-10-6-17/h3-14H2,1-2H3
InChIKeyMUAODJFGIKNKFQ-UHFFFAOYSA-N
XLogP0.75
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Butyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
CID 5135482
1,1'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diethanone
CID 3090865
Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 3805738
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-diacetyl-
CID 3090866
Dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
CID 660708
Diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
CID 660650
1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecane-7,16-dicarboxylic acid diethyl ester
CID 575680
Ethyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 766197
Ethyl 10-propanoyl-1,7-dioxa-4,10-diazacyclododecane-4-carboxylate
CID 804206
Ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
CID 23856432
Ethyl 1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carboxylate
CID 44791087
N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide
CID 15148201

Frequently Asked Questions

What is the IUPAC name of ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate?
The IUPAC name of ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate (CID 3110909) is ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate.
What is the SMILES notation for ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate?
The canonical SMILES for ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate is CCOC(=O)N1CCOCCOCCN(C(=O)CC)CCOCC1.
What is the InChIKey of ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate?
The InChIKey is MUAODJFGIKNKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-3-15(19)17-5-9-21-11-7-18(16(20)24-4-2)8-12-23-14-13-22-10-6-17/h3-14H2,1-2H3.
What are the key properties of ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate?
ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate has a molecular weight of 346.42 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 13-propanoyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carboxylate is sourced from PubChem (CID 3110909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).