6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one

C27H37N5O3 — CID 143753421

IUPAC6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
SMILESCCOCCCc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1cn(C)c3ncnc(c13)C2
InChIInChI=1S/C27H37N5O3/c1-5-34-13-6-8-21-10-9-20-14-23-26-22(17-32(4)27(26)29-19-28-23)16-30(2)11-7-12-31(3)25(33)18-35-24(21)15-20/h9-10,15,17,19H,5-8,11-14,16,18H2,1-4H3
InChIKeyZKZDAEQOSNZBIB-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.20
Rot. Bonds5

About 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one

6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one (PubChem CID 143753421) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one.

Molecular Properties

Compound Name6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
PubChem CID143753421
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
SMILESCCOCCCc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1cn(C)c3ncnc(c13)C2
InChIInChI=1S/C27H37N5O3/c1-5-34-13-6-8-21-10-9-20-14-23-26-22(17-32(4)27(26)29-19-28-23)16-30(2)11-7-12-31(3)25(33)18-35-24(21)15-20/h9-10,15,17,19H,5-8,11-14,16,18H2,1-4H3
InChIKeyZKZDAEQOSNZBIB-UHFFFAOYSA-N
XLogP3.20
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The IUPAC name of 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one (CID 143753421) is 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one.
What is the SMILES notation for 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The canonical SMILES for 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one is CCOCCCc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1cn(C)c3ncnc(c13)C2.
What is the InChIKey of 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
The InChIKey is ZKZDAEQOSNZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-5-34-13-6-8-21-10-9-20-14-23-26-22(17-32(4)27(26)29-19-28-23)16-30(2)11-7-12-31(3)25(33)18-35-24(21)15-20/h9-10,15,17,19H,5-8,11-14,16,18H2,1-4H3.
What are the key properties of 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one?
6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one has a molecular weight of 479.63 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one is sourced from PubChem (CID 143753421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).