CID 102376700

C21H27NO3 — CID 102376700

IUPAC—
SMILESC(=C/[C@@H]1CC2CC3(COC4(CCCCC4)OC3)N1O2)\c1ccccc1
InChIInChI=1S/C21H27NO3/c1-3-7-17(8-4-1)9-10-18-13-19-14-20(22(18)25-19)15-23-21(24-16-20)11-5-2-6-12-21/h1,3-4,7-10,18-19H,2,5-6,11-16H2/b10-9+/t18-,19?/m1/s1
InChIKeyRRZWPEFJWDQAFI-WNWYLPOESA-N
MW341.45 g/mol
LogP3.92
Rot. Bonds2

About CID 102376700

CID 102376700 (PubChem CID 102376700) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol.

Molecular Properties

Compound NameCID 102376700
PubChem CID102376700
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name—
SMILESC(=C/[C@@H]1CC2CC3(COC4(CCCCC4)OC3)N1O2)\c1ccccc1
InChIInChI=1S/C21H27NO3/c1-3-7-17(8-4-1)9-10-18-13-19-14-20(22(18)25-19)15-23-21(24-16-20)11-5-2-6-12-21/h1,3-4,7-10,18-19H,2,5-6,11-16H2/b10-9+/t18-,19?/m1/s1
InChIKeyRRZWPEFJWDQAFI-WNWYLPOESA-N
XLogP3.92
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 102376700?
The IUPAC name of CID 102376700 (CID 102376700) is not available.
What is the SMILES notation for CID 102376700?
The canonical SMILES for CID 102376700 is C(=C/[C@@H]1CC2CC3(COC4(CCCCC4)OC3)N1O2)\c1ccccc1.
What is the InChIKey of CID 102376700?
The InChIKey is RRZWPEFJWDQAFI-WNWYLPOESA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-7-17(8-4-1)9-10-18-13-19-14-20(22(18)25-19)15-23-21(24-16-20)11-5-2-6-12-21/h1,3-4,7-10,18-19H,2,5-6,11-16H2/b10-9+/t18-,19?/m1/s1.
What are the key properties of CID 102376700?
CID 102376700 has a molecular weight of 341.45 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102376700 is sourced from PubChem (CID 102376700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).