CID 59117842

C28H26N2O2 — CID 59117842

IUPAC—
SMILES[CH]C(=O)C(Cc1cccc2ccccc12)NC(=O)C(Cc1cccc2ccccc12)NC
InChIInChI=1S/C28H26N2O2/c1-19(31)26(17-22-13-7-11-20-9-3-5-15-24(20)22)30-28(32)27(29-2)18-23-14-8-12-21-10-4-6-16-25(21)23/h1,3-16,26-27,29H,17-18H2,2H3,(H,30,32)
InChIKeyAQTDYSIULVWNBI-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.13
Rot. Bonds8

About CID 59117842

CID 59117842 (PubChem CID 59117842) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol.

Molecular Properties

Compound NameCID 59117842
PubChem CID59117842
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name—
SMILES[CH]C(=O)C(Cc1cccc2ccccc12)NC(=O)C(Cc1cccc2ccccc12)NC
InChIInChI=1S/C28H26N2O2/c1-19(31)26(17-22-13-7-11-20-9-3-5-15-24(20)22)30-28(32)27(29-2)18-23-14-8-12-21-10-4-6-16-25(21)23/h1,3-16,26-27,29H,17-18H2,2H3,(H,30,32)
InChIKeyAQTDYSIULVWNBI-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59117842?
The IUPAC name of CID 59117842 (CID 59117842) is not available.
What is the SMILES notation for CID 59117842?
The canonical SMILES for CID 59117842 is [CH]C(=O)C(Cc1cccc2ccccc12)NC(=O)C(Cc1cccc2ccccc12)NC.
What is the InChIKey of CID 59117842?
The InChIKey is AQTDYSIULVWNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-19(31)26(17-22-13-7-11-20-9-3-5-15-24(20)22)30-28(32)27(29-2)18-23-14-8-12-21-10-4-6-16-25(21)23/h1,3-16,26-27,29H,17-18H2,2H3,(H,30,32).
What are the key properties of CID 59117842?
CID 59117842 has a molecular weight of 422.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59117842 is sourced from PubChem (CID 59117842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).