10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene

C24H28N2O3 — CID 22503750

IUPAC10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene
SMILESCOc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1
InChIInChI=1S/C24H28N2O3/c1-27-18-5-7-19(8-6-18)28-15-16-29-22-9-4-17-3-2-14-26-21-11-13-25-12-10-20(21)23(22)24(17)26/h4-9,25H,2-3,10-16H2,1H3
InChIKeyMPMRDVMFRFQDIX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds6

About 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene

10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene (PubChem CID 22503750) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene.

Molecular Properties

Compound Name10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene
PubChem CID22503750
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene
SMILESCOc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1
InChIInChI=1S/C24H28N2O3/c1-27-18-5-7-19(8-6-18)28-15-16-29-22-9-4-17-3-2-14-26-21-11-13-25-12-10-20(21)23(22)24(17)26/h4-9,25H,2-3,10-16H2,1H3
InChIKeyMPMRDVMFRFQDIX-UHFFFAOYSA-N
XLogP3.74
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene?
The IUPAC name of 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene (CID 22503750) is 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene.
What is the SMILES notation for 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene?
The canonical SMILES for 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene is COc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1.
What is the InChIKey of 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene?
The InChIKey is MPMRDVMFRFQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-27-18-5-7-19(8-6-18)28-15-16-29-22-9-4-17-3-2-14-26-21-11-13-25-12-10-20(21)23(22)24(17)26/h4-9,25H,2-3,10-16H2,1H3.
What are the key properties of 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene?
10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene has a molecular weight of 392.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-methoxyphenoxy)ethoxy]-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene is sourced from PubChem (CID 22503750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).