N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide

C19H23NO3 — CID 3064575

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide
SMILESCOc1cc(CNC(=O)CCCCc2ccccc2)ccc1O
InChIInChI=1S/C19H23NO3/c1-23-18-13-16(11-12-17(18)21)14-20-19(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,21H,5-6,9-10,14H2,1H3,(H,20,22)
InChIKeyJKOZLXNERUIICC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds8

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide (PubChem CID 3064575) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide
PubChem CID3064575
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide
SMILESCOc1cc(CNC(=O)CCCCc2ccccc2)ccc1O
InChIInChI=1S/C19H23NO3/c1-23-18-13-16(11-12-17(18)21)14-20-19(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,21H,5-6,9-10,14H2,1H3,(H,20,22)
InChIKeyJKOZLXNERUIICC-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide (CID 3064575) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide is COc1cc(CNC(=O)CCCCc2ccccc2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide?
The InChIKey is JKOZLXNERUIICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-18-13-16(11-12-17(18)21)14-20-19(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,21H,5-6,9-10,14H2,1H3,(H,20,22).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide is sourced from PubChem (CID 3064575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).