CID 58197121

C24H35N3O2 — CID 58197121

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H35N3O2/c1-27-22(25)26-24(29-27)21-15-18(14-17-6-4-3-5-7-17)8-9-19(21)16-23(24)12-10-20(28-2)11-13-23/h8-9,15,17,20H,3-7,10-14,16H2,1-2H3,(H2,25,26)
InChIKeyOFDSKRLJGFJJEK-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.29
Rot. Bonds3

About CID 58197121

CID 58197121 (PubChem CID 58197121) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol.

Molecular Properties

Compound NameCID 58197121
PubChem CID58197121
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H35N3O2/c1-27-22(25)26-24(29-27)21-15-18(14-17-6-4-3-5-7-17)8-9-19(21)16-23(24)12-10-20(28-2)11-13-23/h8-9,15,17,20H,3-7,10-14,16H2,1-2H3,(H2,25,26)
InChIKeyOFDSKRLJGFJJEK-UHFFFAOYSA-N
XLogP4.29
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197121?
The IUPAC name of CID 58197121 (CID 58197121) is not available.
What is the SMILES notation for CID 58197121?
The canonical SMILES for CID 58197121 is COC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197121?
The InChIKey is OFDSKRLJGFJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-27-22(25)26-24(29-27)21-15-18(14-17-6-4-3-5-7-17)8-9-19(21)16-23(24)12-10-20(28-2)11-13-23/h8-9,15,17,20H,3-7,10-14,16H2,1-2H3,(H2,25,26).
What are the key properties of CID 58197121?
CID 58197121 has a molecular weight of 397.56 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197121 is sourced from PubChem (CID 58197121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).