CID 102181242

C23H25N2O3 — CID 102181242

IUPAC—
SMILESCC1(C)CC(OC(=O)c2c3ccccc3nc3ccccc23)CC(C)(C)N1[O]
InChIInChI=1S/C23H25N2O3/c1-22(2)13-15(14-23(3,4)25(22)27)28-21(26)20-16-9-5-7-11-18(16)24-19-12-8-6-10-17(19)20/h5-12,15H,13-14H2,1-4H3
InChIKeyLVXQBMLQYDQALN-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.91
Rot. Bonds2

About CID 102181242

CID 102181242 (PubChem CID 102181242) has the molecular formula C23H25N2O3 and a molecular weight of 377.46 g/mol.

Molecular Properties

Compound NameCID 102181242
PubChem CID102181242
Molecular FormulaC23H25N2O3
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name—
SMILESCC1(C)CC(OC(=O)c2c3ccccc3nc3ccccc23)CC(C)(C)N1[O]
InChIInChI=1S/C23H25N2O3/c1-22(2)13-15(14-23(3,4)25(22)27)28-21(26)20-16-9-5-7-11-18(16)24-19-12-8-6-10-17(19)20/h5-12,15H,13-14H2,1-4H3
InChIKeyLVXQBMLQYDQALN-UHFFFAOYSA-N
XLogP4.91
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102181242?
The IUPAC name of CID 102181242 (CID 102181242) is not available.
What is the SMILES notation for CID 102181242?
The canonical SMILES for CID 102181242 is CC1(C)CC(OC(=O)c2c3ccccc3nc3ccccc23)CC(C)(C)N1[O].
What is the InChIKey of CID 102181242?
The InChIKey is LVXQBMLQYDQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O3/c1-22(2)13-15(14-23(3,4)25(22)27)28-21(26)20-16-9-5-7-11-18(16)24-19-12-8-6-10-17(19)20/h5-12,15H,13-14H2,1-4H3.
What are the key properties of CID 102181242?
CID 102181242 has a molecular weight of 377.46 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102181242 is sourced from PubChem (CID 102181242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).