6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene

C26H26N2O4 — CID 143767907

IUPAC6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene
SMILESCc1cc2c(cc1C)OCc1ccc([nH]1)COc1ccccc1OCc1ccc([nH]1)CO2
InChIInChI=1S/C26H26N2O4/c1-17-11-25-26(12-18(17)2)32-16-22-10-8-20(28-22)14-30-24-6-4-3-5-23(24)29-13-19-7-9-21(27-19)15-31-25/h3-12,27-28H,13-16H2,1-2H3
InChIKeyHGIVJOKUIAQTRQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.59
Rot. Bonds

About 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene

6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene (PubChem CID 143767907) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene.

Molecular Properties

Compound Name6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene
PubChem CID143767907
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene
SMILESCc1cc2c(cc1C)OCc1ccc([nH]1)COc1ccccc1OCc1ccc([nH]1)CO2
InChIInChI=1S/C26H26N2O4/c1-17-11-25-26(12-18(17)2)32-16-22-10-8-20(28-22)14-30-24-6-4-3-5-23(24)29-13-19-7-9-21(27-19)15-31-25/h3-12,27-28H,13-16H2,1-2H3
InChIKeyHGIVJOKUIAQTRQ-UHFFFAOYSA-N
XLogP5.59
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene?
The IUPAC name of 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene (CID 143767907) is 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene.
What is the SMILES notation for 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene?
The canonical SMILES for 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene is Cc1cc2c(cc1C)OCc1ccc([nH]1)COc1ccccc1OCc1ccc([nH]1)CO2.
What is the InChIKey of 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene?
The InChIKey is HGIVJOKUIAQTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-11-25-26(12-18(17)2)32-16-22-10-8-20(28-22)14-30-24-6-4-3-5-23(24)29-13-19-7-9-21(27-19)15-31-25/h3-12,27-28H,13-16H2,1-2H3.
What are the key properties of 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene?
6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene has a molecular weight of 430.50 g/mol, XLogP of 5.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene is sourced from PubChem (CID 143767907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).