15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene

C27H23NO2 — CID 168834148

IUPAC15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
SMILESCC(C)n1c2c(c3c4c5c(oc4ccc31)CCC=C5)C=CC1Oc3ccccc3C21
InChIInChI=1S/C27H23NO2/c1-15(2)28-19-12-14-22-25(16-7-3-5-9-20(16)29-22)24(19)18-11-13-23-26(27(18)28)17-8-4-6-10-21(17)30-23/h3-4,6-8,10-15,23,26H,5,9H2,1-2H3
InChIKeyHSCUAACBALRVGO-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.85
Rot. Bonds1

About 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene

15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene (PubChem CID 168834148) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene.

Molecular Properties

Compound Name15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
PubChem CID168834148
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
SMILESCC(C)n1c2c(c3c4c5c(oc4ccc31)CCC=C5)C=CC1Oc3ccccc3C21
InChIInChI=1S/C27H23NO2/c1-15(2)28-19-12-14-22-25(16-7-3-5-9-20(16)29-22)24(19)18-11-13-23-26(27(18)28)17-8-4-6-10-21(17)30-23/h3-4,6-8,10-15,23,26H,5,9H2,1-2H3
InChIKeyHSCUAACBALRVGO-UHFFFAOYSA-N
XLogP6.85
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene?
The IUPAC name of 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene (CID 168834148) is 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene.
What is the SMILES notation for 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene?
The canonical SMILES for 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene is CC(C)n1c2c(c3c4c5c(oc4ccc31)CCC=C5)C=CC1Oc3ccccc3C21.
What is the InChIKey of 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene?
The InChIKey is HSCUAACBALRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-15(2)28-19-12-14-22-25(16-7-3-5-9-20(16)29-22)24(19)18-11-13-23-26(27(18)28)17-8-4-6-10-21(17)30-23/h3-4,6-8,10-15,23,26H,5,9H2,1-2H3.
What are the key properties of 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene?
15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene has a molecular weight of 393.49 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene is sourced from PubChem (CID 168834148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).