4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide

C16H24N2O3 — CID 90417363

IUPAC4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
SMILESCCC[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H24N2O3/c1-5-6-13(17-15(20)16(2,3)4)11-7-9-12(10-8-11)14(19)18-21/h7-10,13,21H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyKXNGGPOKYCWSRV-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide

4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide (PubChem CID 90417363) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
PubChem CID90417363
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
SMILESCCC[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H24N2O3/c1-5-6-13(17-15(20)16(2,3)4)11-7-9-12(10-8-11)14(19)18-21/h7-10,13,21H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyKXNGGPOKYCWSRV-ZDUSSCGKSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
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 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide (CID 90417363) is 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide is CCC[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide?
The InChIKey is KXNGGPOKYCWSRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-13(17-15(20)16(2,3)4)11-7-9-12(10-8-11)14(19)18-21/h7-10,13,21H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide?
4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide is sourced from PubChem (CID 90417363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).