14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol

C29H37NO4 — CID 102526275

IUPAC14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol
SMILESCOc1cc2c(O)c(c1)CCCc1ccc([nH]1)CCCc1cc(OC)cc(c1O)CCCCC2
InChIInChI=1S/C29H37NO4/c1-33-26-16-20-8-4-3-5-9-21-17-27(34-2)19-23(29(21)32)11-7-13-25-15-14-24(30-25)12-6-10-22(18-26)28(20)31/h14-19,30-32H,3-13H2,1-2H3
InChIKeyUCXMFRGDNWQPSK-UHFFFAOYSA-N
MW463.62 g/mol
LogP6.06
Rot. Bonds2

About 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol

14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol (PubChem CID 102526275) has the molecular formula C29H37NO4 and a molecular weight of 463.62 g/mol. Its IUPAC name is 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol.

Molecular Properties

Compound Name14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol
PubChem CID102526275
Molecular FormulaC29H37NO4
Molecular Weight463.62 g/mol
Exact Mass463.27
IUPAC Name14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol
SMILESCOc1cc2c(O)c(c1)CCCc1ccc([nH]1)CCCc1cc(OC)cc(c1O)CCCCC2
InChIInChI=1S/C29H37NO4/c1-33-26-16-20-8-4-3-5-9-21-17-27(34-2)19-23(29(21)32)11-7-13-25-15-14-24(30-25)12-6-10-22(18-26)28(20)31/h14-19,30-32H,3-13H2,1-2H3
InChIKeyUCXMFRGDNWQPSK-UHFFFAOYSA-N
XLogP6.06
TPSA74.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol?
The IUPAC name of 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol (CID 102526275) is 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol.
What is the SMILES notation for 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol?
The canonical SMILES for 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol is COc1cc2c(O)c(c1)CCCc1ccc([nH]1)CCCc1cc(OC)cc(c1O)CCCCC2.
What is the InChIKey of 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol?
The InChIKey is UCXMFRGDNWQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO4/c1-33-26-16-20-8-4-3-5-9-21-17-27(34-2)19-23(29(21)32)11-7-13-25-15-14-24(30-25)12-6-10-22(18-26)28(20)31/h14-19,30-32H,3-13H2,1-2H3.
What are the key properties of 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol?
14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol has a molecular weight of 463.62 g/mol, XLogP of 6.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,24-dimethoxy-28-azatetracyclo[20.3.1.15,8.112,16]octacosa-1(25),5,7,12,14,16(27),22(26),23-octaene-26,27-diol is sourced from PubChem (CID 102526275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).