10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione

C28H28N2O6 — CID 53248891

IUPAC10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
SMILESCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCC1
InChIInChI=1S/C28H28N2O6/c1-3-28(34)12-23(31)36-14-19-20(28)11-22-25-18(13-30(22)27(19)33)24(26(32)15-6-4-5-7-15)17-10-16(35-2)8-9-21(17)29-25/h8-11,15,34H,3-7,12-14H2,1-2H3
InChIKeyOGBNFYQXHBAAON-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.85
Rot. Bonds4

About 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione

10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione (PubChem CID 53248891) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione.

Molecular Properties

Compound Name10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
PubChem CID53248891
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
SMILESCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCC1
InChIInChI=1S/C28H28N2O6/c1-3-28(34)12-23(31)36-14-19-20(28)11-22-25-18(13-30(22)27(19)33)24(26(32)15-6-4-5-7-15)17-10-16(35-2)8-9-21(17)29-25/h8-11,15,34H,3-7,12-14H2,1-2H3
InChIKeyOGBNFYQXHBAAON-UHFFFAOYSA-N
XLogP3.85
TPSA107.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione?
The IUPAC name of 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione (CID 53248891) is 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione.
What is the SMILES notation for 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione?
The canonical SMILES for 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione is CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCC1.
What is the InChIKey of 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione?
The InChIKey is OGBNFYQXHBAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-3-28(34)12-23(31)36-14-19-20(28)11-22-25-18(13-30(22)27(19)33)24(26(32)15-6-4-5-7-15)17-10-16(35-2)8-9-21(17)29-25/h8-11,15,34H,3-7,12-14H2,1-2H3.
What are the key properties of 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione?
10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione has a molecular weight of 488.54 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopentanecarbonyl)-20-ethyl-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione is sourced from PubChem (CID 53248891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).