CID 164582518

C24H27NO3 — CID 164582518

IUPAC—
SMILESCN1C(=O)C2(CCC3(CC2)OCCO3)c2cc(CCc3ccccc3)ccc21
InChIInChI=1S/C24H27NO3/c1-25-21-10-9-19(8-7-18-5-3-2-4-6-18)17-20(21)23(22(25)26)11-13-24(14-12-23)27-15-16-28-24/h2-6,9-10,17H,7-8,11-16H2,1H3
InChIKeyBEUNCWVJTSECCQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.00
Rot. Bonds3

About CID 164582518

CID 164582518 (PubChem CID 164582518) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol.

Molecular Properties

Compound NameCID 164582518
PubChem CID164582518
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name—
SMILESCN1C(=O)C2(CCC3(CC2)OCCO3)c2cc(CCc3ccccc3)ccc21
InChIInChI=1S/C24H27NO3/c1-25-21-10-9-19(8-7-18-5-3-2-4-6-18)17-20(21)23(22(25)26)11-13-24(14-12-23)27-15-16-28-24/h2-6,9-10,17H,7-8,11-16H2,1H3
InChIKeyBEUNCWVJTSECCQ-UHFFFAOYSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 164582518?
The IUPAC name of CID 164582518 (CID 164582518) is not available.
What is the SMILES notation for CID 164582518?
The canonical SMILES for CID 164582518 is CN1C(=O)C2(CCC3(CC2)OCCO3)c2cc(CCc3ccccc3)ccc21.
What is the InChIKey of CID 164582518?
The InChIKey is BEUNCWVJTSECCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-25-21-10-9-19(8-7-18-5-3-2-4-6-18)17-20(21)23(22(25)26)11-13-24(14-12-23)27-15-16-28-24/h2-6,9-10,17H,7-8,11-16H2,1H3.
What are the key properties of CID 164582518?
CID 164582518 has a molecular weight of 377.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582518 is sourced from PubChem (CID 164582518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).