CID 164667086

C16H25NO3 — CID 164667086

IUPAC—
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CCC2
InChIInChI=1S/C16H25NO3/c1-14(2,3)19-13(18)17-11-5-6-12(17)10-16(9-11)15(20-16)7-4-8-15/h11-12H,4-10H2,1-3H3/t11-,12?,16?/m1/s1
InChIKeyOUUZPJUJNUSSGS-OPGSHWCFSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds

About CID 164667086

CID 164667086 (PubChem CID 164667086) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol.

Molecular Properties

Compound NameCID 164667086
PubChem CID164667086
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CCC2
InChIInChI=1S/C16H25NO3/c1-14(2,3)19-13(18)17-11-5-6-12(17)10-16(9-11)15(20-16)7-4-8-15/h11-12H,4-10H2,1-3H3/t11-,12?,16?/m1/s1
InChIKeyOUUZPJUJNUSSGS-OPGSHWCFSA-N
XLogP3.24
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164667086?
The IUPAC name of CID 164667086 (CID 164667086) is not available.
What is the SMILES notation for CID 164667086?
The canonical SMILES for CID 164667086 is CC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CCC2.
What is the InChIKey of CID 164667086?
The InChIKey is OUUZPJUJNUSSGS-OPGSHWCFSA-N. The full InChI is InChI=1S/C16H25NO3/c1-14(2,3)19-13(18)17-11-5-6-12(17)10-16(9-11)15(20-16)7-4-8-15/h11-12H,4-10H2,1-3H3/t11-,12?,16?/m1/s1.
What are the key properties of CID 164667086?
CID 164667086 has a molecular weight of 279.38 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164667086 is sourced from PubChem (CID 164667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).