CID 121233931

C24H26N2O2 — CID 121233931

IUPAC—
SMILESc1ccc2c(c1)CC1OC3(CCCCC34N[C@@H]3c5ccccc5CC3O4)N[C@H]21
InChIInChI=1S/C24H26N2O2/c1-3-9-17-15(7-1)13-19-21(17)25-23(27-19)11-5-6-12-24(23)26-22-18-10-4-2-8-16(18)14-20(22)28-24/h1-4,7-10,19-22,25-26H,5-6,11-14H2/t19?,20?,21-,22-,23?,24?/m1/s1
InChIKeyQRTLPEUTEFJSFH-WCJAIXNRSA-N
MW374.48 g/mol
LogP3.52
Rot. Bonds

About CID 121233931

CID 121233931 (PubChem CID 121233931) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol.

Molecular Properties

Compound NameCID 121233931
PubChem CID121233931
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name—
SMILESc1ccc2c(c1)CC1OC3(CCCCC34N[C@@H]3c5ccccc5CC3O4)N[C@H]21
InChIInChI=1S/C24H26N2O2/c1-3-9-17-15(7-1)13-19-21(17)25-23(27-19)11-5-6-12-24(23)26-22-18-10-4-2-8-16(18)14-20(22)28-24/h1-4,7-10,19-22,25-26H,5-6,11-14H2/t19?,20?,21-,22-,23?,24?/m1/s1
InChIKeyQRTLPEUTEFJSFH-WCJAIXNRSA-N
XLogP3.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 121233931?
The IUPAC name of CID 121233931 (CID 121233931) is not available.
What is the SMILES notation for CID 121233931?
The canonical SMILES for CID 121233931 is c1ccc2c(c1)CC1OC3(CCCCC34N[C@@H]3c5ccccc5CC3O4)N[C@H]21.
What is the InChIKey of CID 121233931?
The InChIKey is QRTLPEUTEFJSFH-WCJAIXNRSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-9-17-15(7-1)13-19-21(17)25-23(27-19)11-5-6-12-24(23)26-22-18-10-4-2-8-16(18)14-20(22)28-24/h1-4,7-10,19-22,25-26H,5-6,11-14H2/t19?,20?,21-,22-,23?,24?/m1/s1.
What are the key properties of CID 121233931?
CID 121233931 has a molecular weight of 374.48 g/mol, XLogP of 3.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121233931 is sourced from PubChem (CID 121233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).