N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide

C17H18N2O3 — CID 11312563

IUPACN-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-2-15(12-6-4-3-5-7-12)17(21)18-14-10-8-13(9-11-14)16(20)19-22/h3-11,15,22H,2H2,1H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeySPLALNOEMVSHPJ-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.94
Rot. Bonds5

About N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide

N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide (PubChem CID 11312563) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide
PubChem CID11312563
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-2-15(12-6-4-3-5-7-12)17(21)18-14-10-8-13(9-11-14)16(20)19-22/h3-11,15,22H,2H2,1H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeySPLALNOEMVSHPJ-HNNXBMFYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
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-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide (CID 11312563) is N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide is CC[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The InChIKey is SPLALNOEMVSHPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-15(12-6-4-3-5-7-12)17(21)18-14-10-8-13(9-11-14)16(20)19-22/h3-11,15,22H,2H2,1H3,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide?
N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide is sourced from PubChem (CID 11312563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).