CID 58197612

C20H29N3O3 — CID 58197612

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C20H29N3O3/c1-13(2)25-16-6-5-14-12-19(9-7-15(24-4)8-10-19)20(17(14)11-16)22-18(21)23(3)26-20/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,21,22)
InChIKeyIEYWHHBYAYMNOD-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.95
Rot. Bonds3

About CID 58197612

CID 58197612 (PubChem CID 58197612) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol.

Molecular Properties

Compound NameCID 58197612
PubChem CID58197612
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C20H29N3O3/c1-13(2)25-16-6-5-14-12-19(9-7-15(24-4)8-10-19)20(17(14)11-16)22-18(21)23(3)26-20/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,21,22)
InChIKeyIEYWHHBYAYMNOD-UHFFFAOYSA-N
XLogP2.95
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197612?
The IUPAC name of CID 58197612 (CID 58197612) is not available.
What is the SMILES notation for CID 58197612?
The canonical SMILES for CID 58197612 is COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197612?
The InChIKey is IEYWHHBYAYMNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(2)25-16-6-5-14-12-19(9-7-15(24-4)8-10-19)20(17(14)11-16)22-18(21)23(3)26-20/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,21,22).
What are the key properties of CID 58197612?
CID 58197612 has a molecular weight of 359.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197612 is sourced from PubChem (CID 58197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).