N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide

C18H20N2O3 — CID 6918848

IUPACN-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyLAMIXXKAWNLXOC-INIZCTEOSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds5

About N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide

N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide (PubChem CID 6918848) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
PubChem CID6918848
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyLAMIXXKAWNLXOC-INIZCTEOSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
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)-3-methyl-2-phenylbutanoyl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide (CID 6918848) is N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide is CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide?
The InChIKey is LAMIXXKAWNLXOC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide?
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.18, 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)-3-methyl-2-phenylbutanoyl]amino]benzamide is sourced from PubChem (CID 6918848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).