CID 58109792

C24H29NO3 — CID 58109792

IUPAC—
SMILESC[C@]12CCC3C(CC4(CC4)C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C24H29NO3/c1-22-6-4-14-15-3-2-13(25-27)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)28-24/h5,7,10,14-17,19,21,27H,2-4,6,8-9,11-12H2,1H3/b25-13+/t14?,15-,16?,17?,19?,21?,22+,24+/m1/s1
InChIKeyGPJUJRCPHLFECR-SEOADOQKSA-N
MW379.50 g/mol
LogP4.49
Rot. Bonds

About CID 58109792

CID 58109792 (PubChem CID 58109792) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol.

Molecular Properties

Compound NameCID 58109792
PubChem CID58109792
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name—
SMILESC[C@]12CCC3C(CC4(CC4)C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C24H29NO3/c1-22-6-4-14-15-3-2-13(25-27)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)28-24/h5,7,10,14-17,19,21,27H,2-4,6,8-9,11-12H2,1H3/b25-13+/t14?,15-,16?,17?,19?,21?,22+,24+/m1/s1
InChIKeyGPJUJRCPHLFECR-SEOADOQKSA-N
XLogP4.49
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 58109792 with MolForge

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

Launch Full Analysis

Related Compounds

(5S,7'S,11'R,14'E)-14'-hydroxyimino-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2-one
CID 58109791
CID 172984538
CID 172984538
(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one
CID 58109787
(1'R,2'R,3'R,5S,5'R,7'S,10'S,11'R)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 42642633
(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R,17'R)-17'-(hydroxymethyl)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109805
CID 123980503
CID 123980503
CID 123179023
CID 123179023
(5S,7'S,17'R)-17'-(hydroxymethyl)-14'-imino-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2-one
CID 143827754
(5S,7'S,11'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109813
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109811
(4'R,5S,14'S,16'S,18'S)-10',14'-dimethylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2,7'-dione
CID 70822293
CID 58115322
CID 58115322

Frequently Asked Questions

What is the IUPAC name of CID 58109792?
The IUPAC name of CID 58109792 (CID 58109792) is not available.
What is the SMILES notation for CID 58109792?
The canonical SMILES for CID 58109792 is C[C@]12CCC3C(CC4(CC4)C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1.
What is the InChIKey of CID 58109792?
The InChIKey is GPJUJRCPHLFECR-SEOADOQKSA-N. The full InChI is InChI=1S/C24H29NO3/c1-22-6-4-14-15-3-2-13(25-27)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)28-24/h5,7,10,14-17,19,21,27H,2-4,6,8-9,11-12H2,1H3/b25-13+/t14?,15-,16?,17?,19?,21?,22+,24+/m1/s1.
What are the key properties of CID 58109792?
CID 58109792 has a molecular weight of 379.50 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58109792 is sourced from PubChem (CID 58109792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).