CID 90938884

C19H24N2O4 — CID 90938884

IUPAC—
SMILESCCc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)O2
InChIInChI=1S/C19H24N2O4/c1-4-12-5-6-15-14(11-12)19(16(22)21(2)17(23)20-19)18(25-15)9-7-13(24-3)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyZLGOEHCAQYRNQK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.35
Rot. Bonds2

About CID 90938884

CID 90938884 (PubChem CID 90938884) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol.

Molecular Properties

Compound NameCID 90938884
PubChem CID90938884
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name—
SMILESCCc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)O2
InChIInChI=1S/C19H24N2O4/c1-4-12-5-6-15-14(11-12)19(16(22)21(2)17(23)20-19)18(25-15)9-7-13(24-3)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyZLGOEHCAQYRNQK-UHFFFAOYSA-N
XLogP2.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90938884?
The IUPAC name of CID 90938884 (CID 90938884) is not available.
What is the SMILES notation for CID 90938884?
The canonical SMILES for CID 90938884 is CCc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(OC)CC1)O2.
What is the InChIKey of CID 90938884?
The InChIKey is ZLGOEHCAQYRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-12-5-6-15-14(11-12)19(16(22)21(2)17(23)20-19)18(25-15)9-7-13(24-3)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,23).
What are the key properties of CID 90938884?
CID 90938884 has a molecular weight of 344.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90938884 is sourced from PubChem (CID 90938884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).