CID 70219085

C20H24N2O3 — CID 70219085

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C20H24N2O3/c1-25-15-6-8-19(9-7-15)11-14-5-4-13(12-2-3-12)10-16(14)20(19)17(23)21-18(24)22-20/h4-5,10,12,15H,2-3,6-9,11H2,1H3,(H2,21,22,23,24)
InChIKeyUPGUDNYKBDAHET-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.73
Rot. Bonds2

About CID 70219085

CID 70219085 (PubChem CID 70219085) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 70219085
PubChem CID70219085
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C20H24N2O3/c1-25-15-6-8-19(9-7-15)11-14-5-4-13(12-2-3-12)10-16(14)20(19)17(23)21-18(24)22-20/h4-5,10,12,15H,2-3,6-9,11H2,1H3,(H2,21,22,23,24)
InChIKeyUPGUDNYKBDAHET-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70219085?
The IUPAC name of CID 70219085 (CID 70219085) is not available.
What is the SMILES notation for CID 70219085?
The canonical SMILES for CID 70219085 is COC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21NC(=O)NC1=O.
What is the InChIKey of CID 70219085?
The InChIKey is UPGUDNYKBDAHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-15-6-8-19(9-7-15)11-14-5-4-13(12-2-3-12)10-16(14)20(19)17(23)21-18(24)22-20/h4-5,10,12,15H,2-3,6-9,11H2,1H3,(H2,21,22,23,24).
What are the key properties of CID 70219085?
CID 70219085 has a molecular weight of 340.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70219085 is sourced from PubChem (CID 70219085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).