CID 58197959

C26H29N3O2 — CID 58197959

IUPAC—
SMILESCN1C(=O)C2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C26H29N3O2/c1-29-23(30)26(28-24(29)27)21-16-18(9-8-17-6-7-17)10-11-22(21)31-25(26)14-12-19-4-2-3-5-20(19)13-15-25/h2-5,10-11,16-17H,6-9,12-15H2,1H3,(H2,27,28)
InChIKeyRSUVVFIJINCLKH-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.72
Rot. Bonds3

About CID 58197959

CID 58197959 (PubChem CID 58197959) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol.

Molecular Properties

Compound NameCID 58197959
PubChem CID58197959
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name—
SMILESCN1C(=O)C2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C26H29N3O2/c1-29-23(30)26(28-24(29)27)21-16-18(9-8-17-6-7-17)10-11-22(21)31-25(26)14-12-19-4-2-3-5-20(19)13-15-25/h2-5,10-11,16-17H,6-9,12-15H2,1H3,(H2,27,28)
InChIKeyRSUVVFIJINCLKH-UHFFFAOYSA-N
XLogP3.72
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197959?
The IUPAC name of CID 58197959 (CID 58197959) is not available.
What is the SMILES notation for CID 58197959?
The canonical SMILES for CID 58197959 is CN1C(=O)C2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197959?
The InChIKey is RSUVVFIJINCLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-29-23(30)26(28-24(29)27)21-16-18(9-8-17-6-7-17)10-11-22(21)31-25(26)14-12-19-4-2-3-5-20(19)13-15-25/h2-5,10-11,16-17H,6-9,12-15H2,1H3,(H2,27,28).
What are the key properties of CID 58197959?
CID 58197959 has a molecular weight of 415.54 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197959 is sourced from PubChem (CID 58197959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).