(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone

C14H22N2O6 — CID 6419589

IUPAC(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
SMILESC[C@@H]1NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)[C@@H](C)COC1=O
InChIInChI=1S/C14H22N2O6/c1-7-5-21-13(19)10(4)16-12(18)8(2)6-22-14(20)9(3)15-11(7)17/h7-10H,5-6H2,1-4H3,(H,15,17)(H,16,18)/t7-,8-,9-,10-/m0/s1
InChIKeyCXCPGYBADNWGDL-XKNYDFJKSA-N
MW314.34 g/mol
LogP-0.63
Rot. Bonds

About (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone

(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone (PubChem CID 6419589) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone.

Molecular Properties

Compound Name(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
PubChem CID6419589
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
SMILESC[C@@H]1NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)[C@@H](C)COC1=O
InChIInChI=1S/C14H22N2O6/c1-7-5-21-13(19)10(4)16-12(18)8(2)6-22-14(20)9(3)15-11(7)17/h7-10H,5-6H2,1-4H3,(H,15,17)(H,16,18)/t7-,8-,9-,10-/m0/s1
InChIKeyCXCPGYBADNWGDL-XKNYDFJKSA-N
XLogP-0.63
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone?
The IUPAC name of (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone (CID 6419589) is (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone.
What is the SMILES notation for (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone?
The canonical SMILES for (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone is C[C@@H]1NC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)[C@@H](C)COC1=O.
What is the InChIKey of (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone?
The InChIKey is CXCPGYBADNWGDL-XKNYDFJKSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-7-5-21-13(19)10(4)16-12(18)8(2)6-22-14(20)9(3)15-11(7)17/h7-10H,5-6H2,1-4H3,(H,15,17)(H,16,18)/t7-,8-,9-,10-/m0/s1.
What are the key properties of (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone?
(3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone has a molecular weight of 314.34 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,10S,13S)-3,6,10,13-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone is sourced from PubChem (CID 6419589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).