CID 67939199

C21H23N2O4P — CID 67939199

IUPAC—
SMILESCC(C)C1C(=O)N(C(C)(C)P(=O)=O)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H23N2O4P/c1-13(2)18-16-11-10-15(22-19(24)14-8-6-5-7-9-14)12-17(16)23(20(18)25)21(3,4)28(26)27/h5-13,18H,1-4H3,(H,22,24)
InChIKeyYBJFPYNUJSVIKA-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.93
Rot. Bonds5

About CID 67939199

CID 67939199 (PubChem CID 67939199) has the molecular formula C21H23N2O4P and a molecular weight of 398.40 g/mol.

Molecular Properties

Compound NameCID 67939199
PubChem CID67939199
Molecular FormulaC21H23N2O4P
Molecular Weight398.40 g/mol
Exact Mass398.14
IUPAC Name—
SMILESCC(C)C1C(=O)N(C(C)(C)P(=O)=O)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H23N2O4P/c1-13(2)18-16-11-10-15(22-19(24)14-8-6-5-7-9-14)12-17(16)23(20(18)25)21(3,4)28(26)27/h5-13,18H,1-4H3,(H,22,24)
InChIKeyYBJFPYNUJSVIKA-UHFFFAOYSA-N
XLogP4.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67939199?
The IUPAC name of CID 67939199 (CID 67939199) is not available.
What is the SMILES notation for CID 67939199?
The canonical SMILES for CID 67939199 is CC(C)C1C(=O)N(C(C)(C)P(=O)=O)c2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of CID 67939199?
The InChIKey is YBJFPYNUJSVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2O4P/c1-13(2)18-16-11-10-15(22-19(24)14-8-6-5-7-9-14)12-17(16)23(20(18)25)21(3,4)28(26)27/h5-13,18H,1-4H3,(H,22,24).
What are the key properties of CID 67939199?
CID 67939199 has a molecular weight of 398.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67939199 is sourced from PubChem (CID 67939199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).