CID 58197045

C25H37N3O2 — CID 58197045

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C(C)C)C1=O
InChIInChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27)
InChIKeyMHLVJXQIYBRATN-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.17
Rot. Bonds5

About CID 58197045

CID 58197045 (PubChem CID 58197045) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol.

Molecular Properties

Compound NameCID 58197045
PubChem CID58197045
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C(C)C)C1=O
InChIInChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27)
InChIKeyMHLVJXQIYBRATN-UHFFFAOYSA-N
XLogP4.17
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197045?
The IUPAC name of CID 58197045 (CID 58197045) is not available.
What is the SMILES notation for CID 58197045?
The canonical SMILES for CID 58197045 is COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21N=C(N)N(C(C)C)C1=O.
What is the InChIKey of CID 58197045?
The InChIKey is MHLVJXQIYBRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27).
What are the key properties of CID 58197045?
CID 58197045 has a molecular weight of 411.59 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197045 is sourced from PubChem (CID 58197045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).