4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide

C16H25N3O3 — CID 123395547

IUPAC4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
SMILESCCCC(NC(=O)NC(C)(C)C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H25N3O3/c1-5-6-13(17-15(21)18-16(2,3)4)11-7-9-12(10-8-11)14(20)19-22/h7-10,13,22H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyFWFOIMTUKSHBBL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.74
Rot. Bonds5

About 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide

4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide (PubChem CID 123395547) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
PubChem CID123395547
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
SMILESCCCC(NC(=O)NC(C)(C)C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H25N3O3/c1-5-6-13(17-15(21)18-16(2,3)4)11-7-9-12(10-8-11)14(20)19-22/h7-10,13,22H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyFWFOIMTUKSHBBL-UHFFFAOYSA-N
XLogP2.74
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.74
H-Bond Donors ≤ 54
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

4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
CID 90417363
N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
CID 58417166
4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
CID 123303772

Frequently Asked Questions

What is the IUPAC name of 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide (CID 123395547) is 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide is CCCC(NC(=O)NC(C)(C)C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide?
The InChIKey is FWFOIMTUKSHBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-6-13(17-15(21)18-16(2,3)4)11-7-9-12(10-8-11)14(20)19-22/h7-10,13,22H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide?
4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide is sourced from PubChem (CID 123395547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).