N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide

C16H23NO3 — CID 20547339

IUPACN,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide
SMILESCCN(CC)C(=O)CCC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-17(5-2)14(18)11-12-16(3,20)15(19)13-9-7-6-8-10-13/h6-10,20H,4-5,11-12H2,1-3H3
InChIKeyCEMHZURCYFSEPR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide

N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide (PubChem CID 20547339) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide
PubChem CID20547339
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide
SMILESCCN(CC)C(=O)CCC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-17(5-2)14(18)11-12-16(3,20)15(19)13-9-7-6-8-10-13/h6-10,20H,4-5,11-12H2,1-3H3
InChIKeyCEMHZURCYFSEPR-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
2,5-dihydroxy-2-methyl-1-phenylpentan-1-one
CID 175459425
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
CID 142910544
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide?
The IUPAC name of N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide (CID 20547339) is N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide is CCN(CC)C(=O)CCC(C)(O)C(=O)c1ccccc1.
What is the InChIKey of N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide?
The InChIKey is CEMHZURCYFSEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-17(5-2)14(18)11-12-16(3,20)15(19)13-9-7-6-8-10-13/h6-10,20H,4-5,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide?
N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide has a molecular weight of 277.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 20547339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).