CID 102376708

C25H29NO3 — CID 102376708

IUPAC—
SMILESc1ccc(C2C3CC4(COC5(CCCCC5)OC4)N2O[C@H]3c2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-4-10-19(11-5-1)22-21-16-24(17-27-25(28-18-24)14-8-3-9-15-25)26(22)29-23(21)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2/t21?,22?,23-/m0/s1
InChIKeyUHMNRPIGPQUTLF-VNXZQDSDSA-N
MW391.51 g/mol
LogP5.18
Rot. Bonds2

About CID 102376708

CID 102376708 (PubChem CID 102376708) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol.

Molecular Properties

Compound NameCID 102376708
PubChem CID102376708
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name—
SMILESc1ccc(C2C3CC4(COC5(CCCCC5)OC4)N2O[C@H]3c2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-4-10-19(11-5-1)22-21-16-24(17-27-25(28-18-24)14-8-3-9-15-25)26(22)29-23(21)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2/t21?,22?,23-/m0/s1
InChIKeyUHMNRPIGPQUTLF-VNXZQDSDSA-N
XLogP5.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 102376708?
The IUPAC name of CID 102376708 (CID 102376708) is not available.
What is the SMILES notation for CID 102376708?
The canonical SMILES for CID 102376708 is c1ccc(C2C3CC4(COC5(CCCCC5)OC4)N2O[C@H]3c2ccccc2)cc1.
What is the InChIKey of CID 102376708?
The InChIKey is UHMNRPIGPQUTLF-VNXZQDSDSA-N. The full InChI is InChI=1S/C25H29NO3/c1-4-10-19(11-5-1)22-21-16-24(17-27-25(28-18-24)14-8-3-9-15-25)26(22)29-23(21)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2/t21?,22?,23-/m0/s1.
What are the key properties of CID 102376708?
CID 102376708 has a molecular weight of 391.51 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102376708 is sourced from PubChem (CID 102376708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).