5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide

C16H25NO2 — CID 86812847

IUPAC5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide
SMILESCOCCCCC(=O)N(C)c1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-13(2)14-8-7-9-15(12-14)17(3)16(18)10-5-6-11-19-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyOQEHIVCYISVMPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.59
Rot. Bonds7

About 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide

5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide (PubChem CID 86812847) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide
PubChem CID86812847
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide
SMILESCOCCCCC(=O)N(C)c1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-13(2)14-8-7-9-15(12-14)17(3)16(18)10-5-6-11-19-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyOQEHIVCYISVMPV-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide (CID 86812847) is 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide is COCCCCC(=O)N(C)c1cccc(C(C)C)c1.
What is the InChIKey of 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide?
The InChIKey is OQEHIVCYISVMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)14-8-7-9-15(12-14)17(3)16(18)10-5-6-11-19-4/h7-9,12-13H,5-6,10-11H2,1-4H3.
What are the key properties of 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide?
5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-(3-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 86812847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).