(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione

C23H26N2O4 — CID 57395648

IUPAC(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1C3=Cc4ccccc4O[C@@]3(C)CC[C@H]1C(C)(C)O2
InChIInChI=1S/C23H26N2O4/c1-22(2)14-10-11-23(3)15(12-13-8-6-7-9-16(13)28-23)17(14)18-19(26)24(4)21(27)25(5)20(18)29-22/h6-9,12,14,17H,10-11H2,1-5H3/t14-,17-,23+/m1/s1
InChIKeyLOOQYLIFZUHSDC-HBAYXTBCSA-N
MW394.47 g/mol
LogP2.98
Rot. Bonds

About (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione

(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione (PubChem CID 57395648) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione.

Molecular Properties

Compound Name(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione
PubChem CID57395648
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1C3=Cc4ccccc4O[C@@]3(C)CC[C@H]1C(C)(C)O2
InChIInChI=1S/C23H26N2O4/c1-22(2)14-10-11-23(3)15(12-13-8-6-7-9-16(13)28-23)17(14)18-19(26)24(4)21(27)25(5)20(18)29-22/h6-9,12,14,17H,10-11H2,1-5H3/t14-,17-,23+/m1/s1
InChIKeyLOOQYLIFZUHSDC-HBAYXTBCSA-N
XLogP2.98
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione?
The IUPAC name of (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione (CID 57395648) is (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione.
What is the SMILES notation for (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione?
The canonical SMILES for (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione is Cn1c2c(c(=O)n(C)c1=O)[C@H]1C3=Cc4ccccc4O[C@@]3(C)CC[C@H]1C(C)(C)O2.
What is the InChIKey of (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione?
The InChIKey is LOOQYLIFZUHSDC-HBAYXTBCSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-22(2)14-10-11-23(3)15(12-13-8-6-7-9-16(13)28-23)17(14)18-19(26)24(4)21(27)25(5)20(18)29-22/h6-9,12,14,17H,10-11H2,1-5H3/t14-,17-,23+/m1/s1.
What are the key properties of (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione?
(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione has a molecular weight of 394.47 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione is sourced from PubChem (CID 57395648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).