N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide

C18H20N2O3 — CID 123214374

IUPACN-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-3-16(13-6-4-12(2)5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h4-11,16,23H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLCPWKPKNTZOQTF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.25
Rot. Bonds5

About N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide

N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide (PubChem CID 123214374) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
PubChem CID123214374
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-3-16(13-6-4-12(2)5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h4-11,16,23H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLCPWKPKNTZOQTF-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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'}

Analyze N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]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,2-bis(4-methylphenyl)butanamide
CID 2750915
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-hydroxy-4-[(4-methoxy-2-phenylbutanoyl)amino]benzamide
CID 53257584
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide?
The IUPAC name of N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide (CID 123214374) is N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide is CCC(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccc(C)cc1.
What is the InChIKey of N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide?
The InChIKey is LCPWKPKNTZOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-16(13-6-4-12(2)5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h4-11,16,23H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide?
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide is sourced from PubChem (CID 123214374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).