CID 58460276

C15H27N2O3 — CID 58460276

IUPAC—
SMILESCC(C)(C)OC(=O)[CH]CCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H27N2O3/c1-15(2,3)20-13(18)10-7-11-16-14(19)17-12-8-5-4-6-9-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,19)
InChIKeyOAQLJLJJEJZOMT-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.55
Rot. Bonds5

About CID 58460276

CID 58460276 (PubChem CID 58460276) has the molecular formula C15H27N2O3 and a molecular weight of 283.39 g/mol.

Molecular Properties

Compound NameCID 58460276
PubChem CID58460276
Molecular FormulaC15H27N2O3
Molecular Weight283.39 g/mol
Exact Mass283.20
IUPAC Name—
SMILESCC(C)(C)OC(=O)[CH]CCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H27N2O3/c1-15(2,3)20-13(18)10-7-11-16-14(19)17-12-8-5-4-6-9-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,19)
InChIKeyOAQLJLJJEJZOMT-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58460276?
The IUPAC name of CID 58460276 (CID 58460276) is not available.
What is the SMILES notation for CID 58460276?
The canonical SMILES for CID 58460276 is CC(C)(C)OC(=O)[CH]CCNC(=O)NC1CCCCC1.
What is the InChIKey of CID 58460276?
The InChIKey is OAQLJLJJEJZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O3/c1-15(2,3)20-13(18)10-7-11-16-14(19)17-12-8-5-4-6-9-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,19).
What are the key properties of CID 58460276?
CID 58460276 has a molecular weight of 283.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58460276 is sourced from PubChem (CID 58460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).