CID 58197417

C26H33N3O3 — CID 58197417

IUPAC—
SMILESCCCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C26H33N3O3/c1-4-14-31-21-10-12-25(13-11-21)17-20-9-8-19(18-6-5-7-22(15-18)30-3)16-23(20)26(25)28-24(27)29(2)32-26/h5-9,15-16,21H,4,10-14,17H2,1-3H3,(H2,27,28)
InChIKeyOFEDQRWRYMWBRF-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.62
Rot. Bonds5

About CID 58197417

CID 58197417 (PubChem CID 58197417) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol.

Molecular Properties

Compound NameCID 58197417
PubChem CID58197417
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name—
SMILESCCCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C26H33N3O3/c1-4-14-31-21-10-12-25(13-11-21)17-20-9-8-19(18-6-5-7-22(15-18)30-3)16-23(20)26(25)28-24(27)29(2)32-26/h5-9,15-16,21H,4,10-14,17H2,1-3H3,(H2,27,28)
InChIKeyOFEDQRWRYMWBRF-UHFFFAOYSA-N
XLogP4.62
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197417?
The IUPAC name of CID 58197417 (CID 58197417) is not available.
What is the SMILES notation for CID 58197417?
The canonical SMILES for CID 58197417 is CCCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197417?
The InChIKey is OFEDQRWRYMWBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-14-31-21-10-12-25(13-11-21)17-20-9-8-19(18-6-5-7-22(15-18)30-3)16-23(20)26(25)28-24(27)29(2)32-26/h5-9,15-16,21H,4,10-14,17H2,1-3H3,(H2,27,28).
What are the key properties of CID 58197417?
CID 58197417 has a molecular weight of 435.57 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197417 is sourced from PubChem (CID 58197417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).