CID 58197369

C21H29N3O3 — CID 58197369

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C21H29N3O3/c1-13(2)27-16-6-5-14-12-20(9-7-15(26-4)8-10-20)21(17(14)11-16)18(25)24(3)19(22)23-21/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,22,23)
InChIKeyNRXARCITFDOHSG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.59
Rot. Bonds3

About CID 58197369

CID 58197369 (PubChem CID 58197369) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol.

Molecular Properties

Compound NameCID 58197369
PubChem CID58197369
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C21H29N3O3/c1-13(2)27-16-6-5-14-12-20(9-7-15(26-4)8-10-20)21(17(14)11-16)18(25)24(3)19(22)23-21/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,22,23)
InChIKeyNRXARCITFDOHSG-UHFFFAOYSA-N
XLogP2.59
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197369?
The IUPAC name of CID 58197369 (CID 58197369) is not available.
What is the SMILES notation for CID 58197369?
The canonical SMILES for CID 58197369 is COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197369?
The InChIKey is NRXARCITFDOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13(2)27-16-6-5-14-12-20(9-7-15(26-4)8-10-20)21(17(14)11-16)18(25)24(3)19(22)23-21/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,22,23).
What are the key properties of CID 58197369?
CID 58197369 has a molecular weight of 371.48 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197369 is sourced from PubChem (CID 58197369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).