N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide

C19H23NO3 — CID 14406214

IUPACN-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
SMILESCOc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-23-18-12-10-17(11-13-18)8-5-9-19(21)20(22)15-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,22H,5,8-9,14-15H2,1H3
InChIKeyKQWFHBABTNKSHN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds8

About N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide

N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide (PubChem CID 14406214) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
PubChem CID14406214
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
SMILESCOc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-23-18-12-10-17(11-13-18)8-5-9-19(21)20(22)15-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,22H,5,8-9,14-15H2,1H3
InChIKeyKQWFHBABTNKSHN-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The IUPAC name of N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide (CID 14406214) is N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide is COc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The InChIKey is KQWFHBABTNKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-18-12-10-17(11-13-18)8-5-9-19(21)20(22)15-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,22H,5,8-9,14-15H2,1H3.
What are the key properties of N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 14406214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).