CID 58197748

C22H29FN2O3 — CID 58197748

IUPAC—
SMILESCCCc1ccc2c(c1)C1(NC(=O)N(CCF)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C22H29FN2O3/c1-3-4-15-5-6-16-14-21(9-7-17(28-2)8-10-21)22(18(16)13-15)19(26)25(12-11-23)20(27)24-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,24,27)
InChIKeyIIMXFESFYVFFTF-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.49
Rot. Bonds5

About CID 58197748

CID 58197748 (PubChem CID 58197748) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol.

Molecular Properties

Compound NameCID 58197748
PubChem CID58197748
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name—
SMILESCCCc1ccc2c(c1)C1(NC(=O)N(CCF)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C22H29FN2O3/c1-3-4-15-5-6-16-14-21(9-7-17(28-2)8-10-21)22(18(16)13-15)19(26)25(12-11-23)20(27)24-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,24,27)
InChIKeyIIMXFESFYVFFTF-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 58197748 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58197748?
The IUPAC name of CID 58197748 (CID 58197748) is not available.
What is the SMILES notation for CID 58197748?
The canonical SMILES for CID 58197748 is CCCc1ccc2c(c1)C1(NC(=O)N(CCF)C1=O)C1(CCC(OC)CC1)C2.
What is the InChIKey of CID 58197748?
The InChIKey is IIMXFESFYVFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-3-4-15-5-6-16-14-21(9-7-17(28-2)8-10-21)22(18(16)13-15)19(26)25(12-11-23)20(27)24-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,24,27).
What are the key properties of CID 58197748?
CID 58197748 has a molecular weight of 388.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197748 is sourced from PubChem (CID 58197748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).