N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide

C18H20N2O3 — CID 11209167

IUPACN-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
SMILESCC(CC(=O)NCc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(15-5-3-2-4-6-15)11-17(21)19-12-14-7-9-16(10-8-14)18(22)20-23/h2-10,13,23H,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPVMYKBQLVHVJGL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds6

About N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide

N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide (PubChem CID 11209167) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
PubChem CID11209167
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
SMILESCC(CC(=O)NCc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(15-5-3-2-4-6-15)11-17(21)19-12-14-7-9-16(10-8-14)18(22)20-23/h2-10,13,23H,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPVMYKBQLVHVJGL-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
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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Related Compounds

N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
CID 58417651
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
CID 62964546
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
4-(acetamidomethyl)-N-(1,1-diphenylpropan-2-yl)benzamide
CID 134054915
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide (CID 11209167) is N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide is CC(CC(=O)NCc1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide?
The InChIKey is PVMYKBQLVHVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(15-5-3-2-4-6-15)11-17(21)19-12-14-7-9-16(10-8-14)18(22)20-23/h2-10,13,23H,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide?
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide is sourced from PubChem (CID 11209167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).