CID 58198126

C20H24N2O5 — CID 58198126

IUPAC—
SMILESCOC(=O)c1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H24N2O5/c1-22-17(24)20(21-18(22)25)15-10-12(16(23)27-3)4-5-13(15)11-19(20)8-6-14(26-2)7-9-19/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyRYCHLNHNQHZMQK-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.98
Rot. Bonds2

About CID 58198126

CID 58198126 (PubChem CID 58198126) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol.

Molecular Properties

Compound NameCID 58198126
PubChem CID58198126
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name—
SMILESCOC(=O)c1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H24N2O5/c1-22-17(24)20(21-18(22)25)15-10-12(16(23)27-3)4-5-13(15)11-19(20)8-6-14(26-2)7-9-19/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyRYCHLNHNQHZMQK-UHFFFAOYSA-N
XLogP1.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 58197649
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CID 58198302
CID 58198302
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CID 58196981
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Frequently Asked Questions

What is the IUPAC name of CID 58198126?
The IUPAC name of CID 58198126 (CID 58198126) is not available.
What is the SMILES notation for CID 58198126?
The canonical SMILES for CID 58198126 is COC(=O)c1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)C2.
What is the InChIKey of CID 58198126?
The InChIKey is RYCHLNHNQHZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-22-17(24)20(21-18(22)25)15-10-12(16(23)27-3)4-5-13(15)11-19(20)8-6-14(26-2)7-9-19/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of CID 58198126?
CID 58198126 has a molecular weight of 372.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198126 is sourced from PubChem (CID 58198126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).