(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione

C25H44N2O4 — CID 56651891

IUPAC(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione
SMILESCC(C)/C1=N/N=C(/C(C)C)CC[C@@H](C)CCOC(=O)CCCC(=O)OCC[C@H](C)CC1
InChIInChI=1S/C25H44N2O4/c1-18(2)22-12-10-20(5)14-16-30-24(28)8-7-9-25(29)31-17-15-21(6)11-13-23(19(3)4)27-26-22/h18-21H,7-17H2,1-6H3/b26-22+,27-23+/t20-,21-/m1/s1
InChIKeyHOGKPEZXYZOIOR-JYUQIRCYSA-N
MW436.64 g/mol
LogP5.98
Rot. Bonds2

About (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione

(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione (PubChem CID 56651891) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione.

Molecular Properties

Compound Name(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione
PubChem CID56651891
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione
SMILESCC(C)/C1=N/N=C(/C(C)C)CC[C@@H](C)CCOC(=O)CCCC(=O)OCC[C@H](C)CC1
InChIInChI=1S/C25H44N2O4/c1-18(2)22-12-10-20(5)14-16-30-24(28)8-7-9-25(29)31-17-15-21(6)11-13-23(19(3)4)27-26-22/h18-21H,7-17H2,1-6H3/b26-22+,27-23+/t20-,21-/m1/s1
InChIKeyHOGKPEZXYZOIOR-JYUQIRCYSA-N
XLogP5.98
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione?
The IUPAC name of (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione (CID 56651891) is (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione.
What is the SMILES notation for (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione?
The canonical SMILES for (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione is CC(C)/C1=N/N=C(/C(C)C)CC[C@@H](C)CCOC(=O)CCCC(=O)OCC[C@H](C)CC1.
What is the InChIKey of (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione?
The InChIKey is HOGKPEZXYZOIOR-JYUQIRCYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-18(2)22-12-10-20(5)14-16-30-24(28)8-7-9-25(29)31-17-15-21(6)11-13-23(19(3)4)27-26-22/h18-21H,7-17H2,1-6H3/b26-22+,27-23+/t20-,21-/m1/s1.
What are the key properties of (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione?
(10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione has a molecular weight of 436.64 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,13Z,15Z,19R)-10,19-dimethyl-13,16-di(propan-2-yl)-1,7-dioxa-14,15-diazacyclohenicosa-13,15-diene-2,6-dione is sourced from PubChem (CID 56651891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).