CID 100922090

C22H24NO3 — CID 100922090

IUPAC—
SMILESCCOC(=O)C1=C(c2ccccc2)C(C)(C)N([O])C1(C)c1ccccc1
InChIInChI=1S/C22H24NO3/c1-5-26-20(24)19-18(16-12-8-6-9-13-16)21(2,3)23(25)22(19,4)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3
InChIKeyGFLWOMQEHKHPLO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.36
Rot. Bonds4

About CID 100922090

CID 100922090 (PubChem CID 100922090) has the molecular formula C22H24NO3 and a molecular weight of 350.44 g/mol.

Molecular Properties

Compound NameCID 100922090
PubChem CID100922090
Molecular FormulaC22H24NO3
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name—
SMILESCCOC(=O)C1=C(c2ccccc2)C(C)(C)N([O])C1(C)c1ccccc1
InChIInChI=1S/C22H24NO3/c1-5-26-20(24)19-18(16-12-8-6-9-13-16)21(2,3)23(25)22(19,4)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3
InChIKeyGFLWOMQEHKHPLO-UHFFFAOYSA-N
XLogP4.36
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (1S,8R)-1,8,10-triphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
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ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
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ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
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ethyl 5-phenyl-4H-pyrazole-3-carboxylate
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ethyl 2-chloro-5-[(1S,2S,6R,7S)-3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
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Frequently Asked Questions

What is the IUPAC name of CID 100922090?
The IUPAC name of CID 100922090 (CID 100922090) is not available.
What is the SMILES notation for CID 100922090?
The canonical SMILES for CID 100922090 is CCOC(=O)C1=C(c2ccccc2)C(C)(C)N([O])C1(C)c1ccccc1.
What is the InChIKey of CID 100922090?
The InChIKey is GFLWOMQEHKHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO3/c1-5-26-20(24)19-18(16-12-8-6-9-13-16)21(2,3)23(25)22(19,4)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3.
What are the key properties of CID 100922090?
CID 100922090 has a molecular weight of 350.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100922090 is sourced from PubChem (CID 100922090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).