14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene

C26H30N2O — CID 174268892

IUPAC14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene
SMILESCCCc1cc2c(c3c1=NCCC3)Oc1c(cc3c4c1CCCN4CCC3)C=2C
InChIInChI=1S/C26H30N2O/c1-3-7-17-14-21-16(2)22-15-18-8-5-12-28-13-6-10-20(24(18)28)26(22)29-25(21)19-9-4-11-27-23(17)19/h14-15H,3-13H2,1-2H3
InChIKeyXYUXZMQFOBHAKZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.23
Rot. Bonds2

About 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene

14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene (PubChem CID 174268892) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene.

Molecular Properties

Compound Name14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene
PubChem CID174268892
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene
SMILESCCCc1cc2c(c3c1=NCCC3)Oc1c(cc3c4c1CCCN4CCC3)C=2C
InChIInChI=1S/C26H30N2O/c1-3-7-17-14-21-16(2)22-15-18-8-5-12-28-13-6-10-20(24(18)28)26(22)29-25(21)19-9-4-11-27-23(17)19/h14-15H,3-13H2,1-2H3
InChIKeyXYUXZMQFOBHAKZ-UHFFFAOYSA-N
XLogP4.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene?
The IUPAC name of 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene (CID 174268892) is 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene.
What is the SMILES notation for 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene?
The canonical SMILES for 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene is CCCc1cc2c(c3c1=NCCC3)Oc1c(cc3c4c1CCCN4CCC3)C=2C.
What is the InChIKey of 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene?
The InChIKey is XYUXZMQFOBHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-3-7-17-14-21-16(2)22-15-18-8-5-12-28-13-6-10-20(24(18)28)26(22)29-25(21)19-9-4-11-27-23(17)19/h14-15H,3-13H2,1-2H3.
What are the key properties of 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene?
14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene has a molecular weight of 386.54 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-11-propyl-3-oxa-9,21-diazahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(25),2(15),4,9,11,13,16-heptaene is sourced from PubChem (CID 174268892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).