CID 102049167

C28H38NO2 — CID 102049167

IUPAC—
SMILESCC(C)(C)c1cc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H38NO2/c1-25(2,3)22-16-19(17-23(24(22)30)26(4,5)6)12-11-18-13-14-20-21(15-18)28(9,10)29(31)27(20,7)8/h11-17,30H,1-10H3/b12-11+
InChIKeyUQWBLVLGVRLHAE-VAWYXSNFSA-N
MW420.62 g/mol
LogP7.29
Rot. Bonds2

About CID 102049167

CID 102049167 (PubChem CID 102049167) has the molecular formula C28H38NO2 and a molecular weight of 420.62 g/mol.

Molecular Properties

Compound NameCID 102049167
PubChem CID102049167
Molecular FormulaC28H38NO2
Molecular Weight420.62 g/mol
Exact Mass420.29
IUPAC Name—
SMILESCC(C)(C)c1cc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H38NO2/c1-25(2,3)22-16-19(17-23(24(22)30)26(4,5)6)12-11-18-13-14-20-21(15-18)28(9,10)29(31)27(20,7)8/h11-17,30H,1-10H3/b12-11+
InChIKeyUQWBLVLGVRLHAE-VAWYXSNFSA-N
XLogP7.29
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102049167?
The IUPAC name of CID 102049167 (CID 102049167) is not available.
What is the SMILES notation for CID 102049167?
The canonical SMILES for CID 102049167 is CC(C)(C)c1cc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of CID 102049167?
The InChIKey is UQWBLVLGVRLHAE-VAWYXSNFSA-N. The full InChI is InChI=1S/C28H38NO2/c1-25(2,3)22-16-19(17-23(24(22)30)26(4,5)6)12-11-18-13-14-20-21(15-18)28(9,10)29(31)27(20,7)8/h11-17,30H,1-10H3/b12-11+.
What are the key properties of CID 102049167?
CID 102049167 has a molecular weight of 420.62 g/mol, XLogP of 7.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102049167 is sourced from PubChem (CID 102049167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).