CID 87200823

C23H35NO5 — CID 87200823

IUPAC—
SMILESC[C@]12CCC3(CC1C/C(=N\O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H35NO5/c1-20-7-8-22(26-9-10-27-22)14-15(20)13-18(24-25)19-16(20)3-5-21(2)17(19)4-6-23(21)28-11-12-29-23/h15-17,19,25H,3-14H2,1-2H3/b24-18+/t15?,16-,17-,19+,20-,21-/m0/s1
InChIKeyOPGLXVQSFZCXTI-JQPPJWFSSA-N
MW405.54 g/mol
LogP3.96
Rot. Bonds

About CID 87200823

CID 87200823 (PubChem CID 87200823) has the molecular formula C23H35NO5 and a molecular weight of 405.54 g/mol.

Molecular Properties

Compound NameCID 87200823
PubChem CID87200823
Molecular FormulaC23H35NO5
Molecular Weight405.54 g/mol
Exact Mass405.25
IUPAC Name—
SMILESC[C@]12CCC3(CC1C/C(=N\O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H35NO5/c1-20-7-8-22(26-9-10-27-22)14-15(20)13-18(24-25)19-16(20)3-5-21(2)17(19)4-6-23(21)28-11-12-29-23/h15-17,19,25H,3-14H2,1-2H3/b24-18+/t15?,16-,17-,19+,20-,21-/m0/s1
InChIKeyOPGLXVQSFZCXTI-JQPPJWFSSA-N
XLogP3.96
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.96
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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Related Compounds

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CID 87709992
CID 87709992
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Frequently Asked Questions

What is the IUPAC name of CID 87200823?
The IUPAC name of CID 87200823 (CID 87200823) is not available.
What is the SMILES notation for CID 87200823?
The canonical SMILES for CID 87200823 is C[C@]12CCC3(CC1C/C(=N\O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 87200823?
The InChIKey is OPGLXVQSFZCXTI-JQPPJWFSSA-N. The full InChI is InChI=1S/C23H35NO5/c1-20-7-8-22(26-9-10-27-22)14-15(20)13-18(24-25)19-16(20)3-5-21(2)17(19)4-6-23(21)28-11-12-29-23/h15-17,19,25H,3-14H2,1-2H3/b24-18+/t15?,16-,17-,19+,20-,21-/m0/s1.
What are the key properties of CID 87200823?
CID 87200823 has a molecular weight of 405.54 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87200823 is sourced from PubChem (CID 87200823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).