CID 58662916

C16H24NO3 — CID 58662916

IUPAC—
SMILESCC1(C)CC(OCOc2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C16H24NO3/c1-15(2)10-14(11-16(3,4)17(15)18)20-12-19-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyYUVHZFLOJCMCSP-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.41
Rot. Bonds4

About CID 58662916

CID 58662916 (PubChem CID 58662916) has the molecular formula C16H24NO3 and a molecular weight of 278.37 g/mol.

Molecular Properties

Compound NameCID 58662916
PubChem CID58662916
Molecular FormulaC16H24NO3
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name—
SMILESCC1(C)CC(OCOc2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C16H24NO3/c1-15(2)10-14(11-16(3,4)17(15)18)20-12-19-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyYUVHZFLOJCMCSP-UHFFFAOYSA-N
XLogP3.41
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58662916?
The IUPAC name of CID 58662916 (CID 58662916) is not available.
What is the SMILES notation for CID 58662916?
The canonical SMILES for CID 58662916 is CC1(C)CC(OCOc2ccccc2)CC(C)(C)N1[O].
What is the InChIKey of CID 58662916?
The InChIKey is YUVHZFLOJCMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO3/c1-15(2)10-14(11-16(3,4)17(15)18)20-12-19-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of CID 58662916?
CID 58662916 has a molecular weight of 278.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58662916 is sourced from PubChem (CID 58662916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).