CID 58197323

C20H24N2O4 — CID 58197323

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C(=O)O)cc1C21N=C(C)N(C)C1=O
InChIInChI=1S/C20H24N2O4/c1-12-21-20(18(25)22(12)2)16-10-13(17(23)24)4-5-14(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,15H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyQDFDBMLXNJNTJZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.60
Rot. Bonds2

About CID 58197323

CID 58197323 (PubChem CID 58197323) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol.

Molecular Properties

Compound NameCID 58197323
PubChem CID58197323
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C(=O)O)cc1C21N=C(C)N(C)C1=O
InChIInChI=1S/C20H24N2O4/c1-12-21-20(18(25)22(12)2)16-10-13(17(23)24)4-5-14(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,15H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyQDFDBMLXNJNTJZ-UHFFFAOYSA-N
XLogP2.60
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197323?
The IUPAC name of CID 58197323 (CID 58197323) is not available.
What is the SMILES notation for CID 58197323?
The canonical SMILES for CID 58197323 is COC1CCC2(CC1)Cc1ccc(C(=O)O)cc1C21N=C(C)N(C)C1=O.
What is the InChIKey of CID 58197323?
The InChIKey is QDFDBMLXNJNTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-21-20(18(25)22(12)2)16-10-13(17(23)24)4-5-14(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,15H,6-9,11H2,1-3H3,(H,23,24).
What are the key properties of CID 58197323?
CID 58197323 has a molecular weight of 356.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197323 is sourced from PubChem (CID 58197323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).