CID 58197178

C23H33N3O2 — CID 58197178

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)
InChIKeyRYMHRRJVTCOMJD-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.39
Rot. Bonds4

About CID 58197178

CID 58197178 (PubChem CID 58197178) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol.

Molecular Properties

Compound NameCID 58197178
PubChem CID58197178
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)
InChIKeyRYMHRRJVTCOMJD-UHFFFAOYSA-N
XLogP3.39
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 58197178 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 58197178?
The IUPAC name of CID 58197178 (CID 58197178) is not available.
What is the SMILES notation for CID 58197178?
The canonical SMILES for CID 58197178 is COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197178?
The InChIKey is RYMHRRJVTCOMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25).
What are the key properties of CID 58197178?
CID 58197178 has a molecular weight of 383.54 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197178 is sourced from PubChem (CID 58197178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).