CID 58197022

C20H29N3O2 — CID 58197022

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C20H29N3O2/c1-13(2)14-5-6-15-12-19(9-7-16(24-4)8-10-19)20(17(15)11-14)22-18(21)23(3)25-20/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,21,22)
InChIKeyHCSAKWDRASHDCF-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.29
Rot. Bonds2

About CID 58197022

CID 58197022 (PubChem CID 58197022) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol.

Molecular Properties

Compound NameCID 58197022
PubChem CID58197022
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C20H29N3O2/c1-13(2)14-5-6-15-12-19(9-7-16(24-4)8-10-19)20(17(15)11-14)22-18(21)23(3)25-20/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,21,22)
InChIKeyHCSAKWDRASHDCF-UHFFFAOYSA-N
XLogP3.29
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197022?
The IUPAC name of CID 58197022 (CID 58197022) is not available.
What is the SMILES notation for CID 58197022?
The canonical SMILES for CID 58197022 is COC1CCC2(CC1)Cc1ccc(C(C)C)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197022?
The InChIKey is HCSAKWDRASHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)14-5-6-15-12-19(9-7-16(24-4)8-10-19)20(17(15)11-14)22-18(21)23(3)25-20/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,21,22).
What are the key properties of CID 58197022?
CID 58197022 has a molecular weight of 343.47 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197022 is sourced from PubChem (CID 58197022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).