20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one

C25H22N2O2 — CID 24971430

IUPAC20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
SMILESCC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O
InChIInChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
InChIKeyBFKOYMDZLSTZJN-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.12
Rot. Bonds2

About 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one

20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one (PubChem CID 24971430) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one.

Molecular Properties

Compound Name20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
PubChem CID24971430
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one
SMILESCC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O
InChIInChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
InChIKeyBFKOYMDZLSTZJN-UHFFFAOYSA-N
XLogP5.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The IUPAC name of 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one (CID 24971430) is 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one.
What is the SMILES notation for 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The canonical SMILES for 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one is CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O.
What is the InChIKey of 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
The InChIKey is BFKOYMDZLSTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28).
What are the key properties of 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one?
20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one has a molecular weight of 382.46 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one is sourced from PubChem (CID 24971430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).