(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone

C24H38N2O8 — CID 16758304

IUPAC(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone
SMILESCO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
InChIInChI=1S/C24H38N2O8/c1-15-9-7-11-21(27)25-18(4)24(30)34-14-20(32-6)16(2)10-8-12-22(28)26-17(3)23(29)33-13-19(15)31-5/h7-10,15-20H,11-14H2,1-6H3,(H,25,27)(H,26,28)/b9-7-,10-8-/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKeyUXFGDHMMNCODGO-IYLFNAGXSA-N
MW482.57 g/mol
LogP1.29
Rot. Bonds2

About (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone

(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone (PubChem CID 16758304) has the molecular formula C24H38N2O8 and a molecular weight of 482.57 g/mol. Its IUPAC name is (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone.

Molecular Properties

Compound Name(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone
PubChem CID16758304
Molecular FormulaC24H38N2O8
Molecular Weight482.57 g/mol
Exact Mass482.26
IUPAC Name(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone
SMILESCO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
InChIInChI=1S/C24H38N2O8/c1-15-9-7-11-21(27)25-18(4)24(30)34-14-20(32-6)16(2)10-8-12-22(28)26-17(3)23(29)33-13-19(15)31-5/h7-10,15-20H,11-14H2,1-6H3,(H,25,27)(H,26,28)/b9-7-,10-8-/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKeyUXFGDHMMNCODGO-IYLFNAGXSA-N
XLogP1.29
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone?
The IUPAC name of (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone (CID 16758304) is (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone.
What is the SMILES notation for (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone?
The canonical SMILES for (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone is CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C.
What is the InChIKey of (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone?
The InChIKey is UXFGDHMMNCODGO-IYLFNAGXSA-N. The full InChI is InChI=1S/C24H38N2O8/c1-15-9-7-11-21(27)25-18(4)24(30)34-14-20(32-6)16(2)10-8-12-22(28)26-17(3)23(29)33-13-19(15)31-5/h7-10,15-20H,11-14H2,1-6H3,(H,25,27)(H,26,28)/b9-7-,10-8-/t15-,16-,17+,18+,19-,20-/m1/s1.
What are the key properties of (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone?
(3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone has a molecular weight of 482.57 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethoxy-3,9,14,20-tetramethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone is sourced from PubChem (CID 16758304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).