5-amino-2-methyl-N-phenylmethoxypentanamide

C13H20N2O2 — CID 104685201

IUPAC5-amino-2-methyl-N-phenylmethoxypentanamide
SMILESCC(CCCN)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(6-5-9-14)13(16)15-17-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3,(H,15,16)
InChIKeySGBWHWOYPXANEN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds7

About 5-amino-2-methyl-N-phenylmethoxypentanamide

5-amino-2-methyl-N-phenylmethoxypentanamide (PubChem CID 104685201) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-2-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-phenylmethoxypentanamide
PubChem CID104685201
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-2-methyl-N-phenylmethoxypentanamide
SMILESCC(CCCN)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(6-5-9-14)13(16)15-17-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3,(H,15,16)
InChIKeySGBWHWOYPXANEN-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-phenylmethoxypentanamide?
The IUPAC name of 5-amino-2-methyl-N-phenylmethoxypentanamide (CID 104685201) is 5-amino-2-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for 5-amino-2-methyl-N-phenylmethoxypentanamide is CC(CCCN)C(=O)NOCc1ccccc1.
What is the InChIKey of 5-amino-2-methyl-N-phenylmethoxypentanamide?
The InChIKey is SGBWHWOYPXANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(6-5-9-14)13(16)15-17-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-methyl-N-phenylmethoxypentanamide?
5-amino-2-methyl-N-phenylmethoxypentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 104685201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).