CID 87709625

C24H37NO5 — CID 87709625

IUPAC—
SMILESC[C@]12CCC3(CC1[C@@H](/C=N/O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h15-20,26H,3-14H2,1-2H3/b25-15+/t16-,17-,18+,19+,20?,21-,22+/m1/s1
InChIKeyFAXYJAKDACQHND-RKHRKUFASA-N
MW419.56 g/mol
LogP4.20
Rot. Bonds1

About CID 87709625

CID 87709625 (PubChem CID 87709625) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol.

Molecular Properties

Compound NameCID 87709625
PubChem CID87709625
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name—
SMILESC[C@]12CCC3(CC1[C@@H](/C=N/O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h15-20,26H,3-14H2,1-2H3/b25-15+/t16-,17-,18+,19+,20?,21-,22+/m1/s1
InChIKeyFAXYJAKDACQHND-RKHRKUFASA-N
XLogP4.20
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of CID 87709625?
The IUPAC name of CID 87709625 (CID 87709625) is not available.
What is the SMILES notation for CID 87709625?
The canonical SMILES for CID 87709625 is C[C@]12CCC3(CC1[C@@H](/C=N/O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 87709625?
The InChIKey is FAXYJAKDACQHND-RKHRKUFASA-N. The full InChI is InChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h15-20,26H,3-14H2,1-2H3/b25-15+/t16-,17-,18+,19+,20?,21-,22+/m1/s1.
What are the key properties of CID 87709625?
CID 87709625 has a molecular weight of 419.56 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87709625 is sourced from PubChem (CID 87709625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).