N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide

C20H25NO2 — CID 122194660

IUPACN,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide
SMILESCCN(CC)C(=O)CC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)20(23)14-19(15-22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19,22H,3-4,14-15H2,1-2H3
InChIKeyCSAHGVVSMYJVMM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.69
Rot. Bonds7

About N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide

N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide (PubChem CID 122194660) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide
PubChem CID122194660
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide
SMILESCCN(CC)C(=O)CC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)20(23)14-19(15-22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19,22H,3-4,14-15H2,1-2H3
InChIKeyCSAHGVVSMYJVMM-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide?
The IUPAC name of N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide (CID 122194660) is N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide is CCN(CC)C(=O)CC(CO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide?
The InChIKey is CSAHGVVSMYJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-21(4-2)20(23)14-19(15-22)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19,22H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide?
N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide is sourced from PubChem (CID 122194660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).