(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone

C28H48N4O6 — CID 56652911

IUPAC(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone
SMILESC/C1=N\NC(=O)CCCC(=O)N/N=C(\C)CCCC(C)CCOC(=O)CCCC(=O)OCCC(C)CCC1
InChIInChI=1S/C28H48N4O6/c1-21-9-5-11-23(3)29-31-25(33)13-7-14-26(34)32-30-24(4)12-6-10-22(2)18-20-38-28(36)16-8-15-27(35)37-19-17-21/h21-22H,5-20H2,1-4H3,(H,31,33)(H,32,34)/b29-23+,30-24+
InChIKeyUKRBFNFJEPVDDI-HCTXVGCHSA-N
MW536.71 g/mol
LogP4.80
Rot. Bonds

About (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone

(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone (PubChem CID 56652911) has the molecular formula C28H48N4O6 and a molecular weight of 536.71 g/mol. Its IUPAC name is (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone.

Molecular Properties

Compound Name(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone
PubChem CID56652911
Molecular FormulaC28H48N4O6
Molecular Weight536.71 g/mol
Exact Mass536.36
IUPAC Name(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone
SMILESC/C1=N\NC(=O)CCCC(=O)N/N=C(\C)CCCC(C)CCOC(=O)CCCC(=O)OCCC(C)CCC1
InChIInChI=1S/C28H48N4O6/c1-21-9-5-11-23(3)29-31-25(33)13-7-14-26(34)32-30-24(4)12-6-10-22(2)18-20-38-28(36)16-8-15-27(35)37-19-17-21/h21-22H,5-20H2,1-4H3,(H,31,33)(H,32,34)/b29-23+,30-24+
InChIKeyUKRBFNFJEPVDDI-HCTXVGCHSA-N
XLogP4.80
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.71
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone with MolForge

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Related Compounds

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CID 11434959
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
(6S)-6-methyloxepan-2-one
CID 14866717
(12E)-16-methyl-1-oxacyclooctadec-12-en-2-one
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(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione
CID 56652236
3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one
CID 23149554
13-methyl-1-oxacyclopentadec-10-en-2-one
CID 54131551
3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione
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6-methyl-1,4-dioxacycloheptadecane-5,17-dione
CID 19702284
6-methyloxan-2-one;oxepan-2-one
CID 167589650
(213C)oxolan-2-one
CID 175700736

Frequently Asked Questions

What is the IUPAC name of (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone?
The IUPAC name of (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone (CID 56652911) is (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone.
What is the SMILES notation for (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone?
The canonical SMILES for (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone is C/C1=N\NC(=O)CCCC(=O)N/N=C(\C)CCCC(C)CCOC(=O)CCCC(=O)OCCC(C)CCC1.
What is the InChIKey of (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone?
The InChIKey is UKRBFNFJEPVDDI-HCTXVGCHSA-N. The full InChI is InChI=1S/C28H48N4O6/c1-21-9-5-11-23(3)29-31-25(33)13-7-14-26(34)32-30-24(4)12-6-10-22(2)18-20-38-28(36)16-8-15-27(35)37-19-17-21/h21-22H,5-20H2,1-4H3,(H,31,33)(H,32,34)/b29-23+,30-24+.
What are the key properties of (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone?
(14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone has a molecular weight of 536.71 g/mol, XLogP of 4.80, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z,23Z)-10,14,24,28-tetramethyl-1,7-dioxa-15,16,22,23-tetrazacyclotriaconta-14,23-diene-2,6,17,21-tetrone is sourced from PubChem (CID 56652911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).