5-phenylmethoxypentanamide

C12H17NO2 — CID 68560550

IUPAC5-phenylmethoxypentanamide
SMILESNC(=O)CCCCOCc1ccccc1
InChIInChI=1S/C12H17NO2/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyMLZXHCOXWWTIEY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.86
Rot. Bonds7

About 5-phenylmethoxypentanamide

5-phenylmethoxypentanamide (PubChem CID 68560550) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-phenylmethoxypentanamide.

Molecular Properties

Compound Name5-phenylmethoxypentanamide
PubChem CID68560550
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-phenylmethoxypentanamide
SMILESNC(=O)CCCCOCc1ccccc1
InChIInChI=1S/C12H17NO2/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyMLZXHCOXWWTIEY-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-phenylmethoxypentanamide?
The IUPAC name of 5-phenylmethoxypentanamide (CID 68560550) is 5-phenylmethoxypentanamide.
What is the SMILES notation for 5-phenylmethoxypentanamide?
The canonical SMILES for 5-phenylmethoxypentanamide is NC(=O)CCCCOCc1ccccc1.
What is the InChIKey of 5-phenylmethoxypentanamide?
The InChIKey is MLZXHCOXWWTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14).
What are the key properties of 5-phenylmethoxypentanamide?
5-phenylmethoxypentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypentanamide is sourced from PubChem (CID 68560550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).