3-methoxy-3-phenylpentanamide

C12H17NO2 — CID 66580018

IUPAC3-methoxy-3-phenylpentanamide
SMILESCCC(CC(N)=O)(OC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-12(15-2,9-11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,13,14)
InChIKeyLYACOBYEVJUUDZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds5

About 3-methoxy-3-phenylpentanamide

3-methoxy-3-phenylpentanamide (PubChem CID 66580018) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methoxy-3-phenylpentanamide.

Molecular Properties

Compound Name3-methoxy-3-phenylpentanamide
PubChem CID66580018
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-3-phenylpentanamide
SMILESCCC(CC(N)=O)(OC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-12(15-2,9-11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,13,14)
InChIKeyLYACOBYEVJUUDZ-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenylpentanamide?
The IUPAC name of 3-methoxy-3-phenylpentanamide (CID 66580018) is 3-methoxy-3-phenylpentanamide.
What is the SMILES notation for 3-methoxy-3-phenylpentanamide?
The canonical SMILES for 3-methoxy-3-phenylpentanamide is CCC(CC(N)=O)(OC)c1ccccc1.
What is the InChIKey of 3-methoxy-3-phenylpentanamide?
The InChIKey is LYACOBYEVJUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-12(15-2,9-11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,13,14).
What are the key properties of 3-methoxy-3-phenylpentanamide?
3-methoxy-3-phenylpentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenylpentanamide is sourced from PubChem (CID 66580018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).