CID 58197673

C21H27N3O2 — CID 58197673

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22)17-11-14(13-3-4-13)5-6-15(17)12-20(21)9-7-16(26-2)8-10-20/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H2,22,23)
InChIKeyYWOOOFKOHLVWRU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.68
Rot. Bonds2

About CID 58197673

CID 58197673 (PubChem CID 58197673) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol.

Molecular Properties

Compound NameCID 58197673
PubChem CID58197673
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22)17-11-14(13-3-4-13)5-6-15(17)12-20(21)9-7-16(26-2)8-10-20/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H2,22,23)
InChIKeyYWOOOFKOHLVWRU-UHFFFAOYSA-N
XLogP2.68
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197673?
The IUPAC name of CID 58197673 (CID 58197673) is not available.
What is the SMILES notation for CID 58197673?
The canonical SMILES for CID 58197673 is COC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197673?
The InChIKey is YWOOOFKOHLVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22)17-11-14(13-3-4-13)5-6-15(17)12-20(21)9-7-16(26-2)8-10-20/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H2,22,23).
What are the key properties of CID 58197673?
CID 58197673 has a molecular weight of 353.47 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197673 is sourced from PubChem (CID 58197673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).