3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide

C14H21N3O3 — CID 58417166

IUPAC3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
SMILESC[C@@H](NC(=O)NC(C)(C)C)c1cccc(C(=O)NO)c1
InChIInChI=1S/C14H21N3O3/c1-9(15-13(19)16-14(2,3)4)10-6-5-7-11(8-10)12(18)17-20/h5-9,20H,1-4H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1
InChIKeyZQVNUBRZIFEFPM-SECBINFHSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds3

About 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide

3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide (PubChem CID 58417166) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
PubChem CID58417166
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
SMILESC[C@@H](NC(=O)NC(C)(C)C)c1cccc(C(=O)NO)c1
InChIInChI=1S/C14H21N3O3/c1-9(15-13(19)16-14(2,3)4)10-6-5-7-11(8-10)12(18)17-20/h5-9,20H,1-4H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1
InChIKeyZQVNUBRZIFEFPM-SECBINFHSA-N
XLogP1.96
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
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

N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 58417491
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 87388197
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
CID 159508218
4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
CID 123395547
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
CID 123228941
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
methyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 154729915
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide?
The IUPAC name of 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide (CID 58417166) is 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide is C[C@@H](NC(=O)NC(C)(C)C)c1cccc(C(=O)NO)c1.
What is the InChIKey of 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide?
The InChIKey is ZQVNUBRZIFEFPM-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(15-13(19)16-14(2,3)4)10-6-5-7-11(8-10)12(18)17-20/h5-9,20H,1-4H3,(H,17,18)(H2,15,16,19)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide?
3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 58417166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).