N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide

C20H23NO3 — CID 58417651

IUPACN-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
SMILESC[C@H](CC(=O)C[C@H](C)c1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-19(22)13-15(2)17-8-10-18(11-9-17)20(23)21-24/h3-11,14-15,24H,12-13H2,1-2H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyKJCXRIHFKBHATH-CABCVRRESA-N
MW325.41 g/mol
LogP4.06
Rot. Bonds7

About N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide

N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide (PubChem CID 58417651) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
PubChem CID58417651
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
SMILESC[C@H](CC(=O)C[C@H](C)c1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-19(22)13-15(2)17-8-10-18(11-9-17)20(23)21-24/h3-11,14-15,24H,12-13H2,1-2H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyKJCXRIHFKBHATH-CABCVRRESA-N
XLogP4.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide 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-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-hydroxybenzamide;nickel
CID 88846751
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
(3S)-3-phenylbutanoate
CID 6950118
1,4-diphenylpentane-1,2-dione
CID 141286751
N-(3-phenylbutyl)benzamide
CID 62403316
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186
calcium;hydride;N-hydroxybenzamide
CID 175061214

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide?
The IUPAC name of N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide (CID 58417651) is N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide is C[C@H](CC(=O)C[C@H](C)c1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide?
The InChIKey is KJCXRIHFKBHATH-CABCVRRESA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-19(22)13-15(2)17-8-10-18(11-9-17)20(23)21-24/h3-11,14-15,24H,12-13H2,1-2H3,(H,21,23)/t14-,15+/m1/s1.
What are the key properties of N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide?
N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide is sourced from PubChem (CID 58417651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).