CID 57080109

C24H27NO2 — CID 57080109

IUPAC—
SMILESc1ccc(CN2CC[C@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1
InChIInChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23+/m1/s1
InChIKeyHAYGYDLOSCNRIO-PTUXOGIPSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds2

About CID 57080109

CID 57080109 (PubChem CID 57080109) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol.

Molecular Properties

Compound NameCID 57080109
PubChem CID57080109
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name—
SMILESc1ccc(CN2CC[C@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1
InChIInChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23+/m1/s1
InChIKeyHAYGYDLOSCNRIO-PTUXOGIPSA-N
XLogP4.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 57080109?
The IUPAC name of CID 57080109 (CID 57080109) is not available.
What is the SMILES notation for CID 57080109?
The canonical SMILES for CID 57080109 is c1ccc(CN2CC[C@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1.
What is the InChIKey of CID 57080109?
The InChIKey is HAYGYDLOSCNRIO-PTUXOGIPSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23+/m1/s1.
What are the key properties of CID 57080109?
CID 57080109 has a molecular weight of 361.49 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57080109 is sourced from PubChem (CID 57080109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).